N,N-dimethylethanimidamide;1,1-dimethylguanidine;1,4-dimethylpiperidine;ethane;1-ethyl-4-methylpiperidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylguanidine;4-methyloxane;4-methylpiperidine;4-methylthiane;N,N,N'-trimethylethanimidamide;1,1,2-trimethylguanidine

C77H174N16OS — CID 157191996

IUPACN,N-dimethylethanimidamide;1,1-dimethylguanidine;1,4-dimethylpiperidine;ethane;1-ethyl-4-methylpiperidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylguanidine;4-methyloxane;4-methylpiperidine;4-methylthiane;N,N,N'-trimethylethanimidamide;1,1,2-trimethylguanidine
SMILESC/N=C(\C)N(C)C.C/N=C(\N)N(C)C.CC.CC.CC1CC1.CC1CCC1.CC1CCCC1.CC1CCCCC1.CC1CCN(C)CC1.CC1CCNCC1.CC1CCOCC1.CC1CCSCC1.CCN1CCC(C)CC1.CN=C(N)N.[H]/N=C(\C)N(C)C.[H]/N=C(\N)N(C)C
InChIInChI=1S/C8H17N.C7H15N.C7H14.C6H13N.C6H12O.C6H12S.C6H12.C5H12N2.C5H10.C4H11N3.C4H10N2.C4H8.C3H9N3.C2H7N3.2C2H6/c1-3-9-6-4-8(2)5-7-9;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;3*1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-5(6-2)7(3)4;1-5-3-2-4-5;1-6-4(5)7(2)3;1-4(5)6(2)3;1-4-2-3-4;1-6(2)3(4)5;1-5-2(3)4;2*1-2/h8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,2-6H2,1H3;6-7H,2-5H2,1H3;2*6H,2-5H2,1H3;6H,2-5H2,1H3;1-4H3;5H,2-4H2,1H3;1-3H3,(H2,5,6);5H,1-3H3;4H,2-3H2,1H3;1-2H3,(H3,4,5);1H3,(H4,3,4,5);2*1-2H3/b;;;;;;;6-5+;;;5-4+;;;;;
InChIKeyAPUPDBSABMECFK-ROKPEQGNSA-N
MW1372.42 g/mol
LogP16.70
Rot. Bonds1

About N,N-dimethylethanimidamide;1,1-dimethylguanidine;1,4-dimethylpiperidine;ethane;1-ethyl-4-methylpiperidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylguanidine;4-methyloxane;4-methylpiperidine;4-methylthiane;N,N,N'-trimethylethanimidamide;1,1,2-trimethylguanidine

N,N-dimethylethanimidamide;1,1-dimethylguanidine;1,4-dimethylpiperidine;ethane;1-ethyl-4-methylpiperidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylguanidine;4-methyloxane;4-methylpiperidine;4-methylthiane;N,N,N'-trimethylethanimidamide;1,1,2-trimethylguanidine (PubChem CID 157191996) has the molecular formula C77H174N16OS and a molecular weight of 1372.42 g/mol. Its IUPAC name is N,N-dimethylethanimidamide;1,1-dimethylguanidine;1,4-dimethylpiperidine;ethane;1-ethyl-4-methylpiperidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylguanidine;4-methyloxane;4-methylpiperidine;4-methylthiane;N,N,N'-trimethylethanimidamide;1,1,2-trimethylguanidine.

Molecular Properties

Compound NameN,N-dimethylethanimidamide;1,1-dimethylguanidine;1,4-dimethylpiperidine;ethane;1-ethyl-4-methylpiperidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylguanidine;4-methyloxane;4-methylpiperidine;4-methylthiane;N,N,N'-trimethylethanimidamide;1,1,2-trimethylguanidine
PubChem CID157191996
Molecular FormulaC77H174N16OS
Molecular Weight1372.42 g/mol
Exact Mass1371.38
IUPAC NameN,N-dimethylethanimidamide;1,1-dimethylguanidine;1,4-dimethylpiperidine;ethane;1-ethyl-4-methylpiperidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylguanidine;4-methyloxane;4-methylpiperidine;4-methylthiane;N,N,N'-trimethylethanimidamide;1,1,2-trimethylguanidine
SMILESC/N=C(\C)N(C)C.C/N=C(\N)N(C)C.CC.CC.CC1CC1.CC1CCC1.CC1CCCC1.CC1CCCCC1.CC1CCN(C)CC1.CC1CCNCC1.CC1CCOCC1.CC1CCSCC1.CCN1CCC(C)CC1.CN=C(N)N.[H]/N=C(\C)N(C)C.[H]/N=C(\N)N(C)C
InChIInChI=1S/C8H17N.C7H15N.C7H14.C6H13N.C6H12O.C6H12S.C6H12.C5H12N2.C5H10.C4H11N3.C4H10N2.C4H8.C3H9N3.C2H7N3.2C2H6/c1-3-9-6-4-8(2)5-7-9;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;3*1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-5(6-2)7(3)4;1-5-3-2-4-5;1-6-4(5)7(2)3;1-4(5)6(2)3;1-4-2-3-4;1-6(2)3(4)5;1-5-2(3)4;2*1-2/h8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,2-6H2,1H3;6-7H,2-5H2,1H3;2*6H,2-5H2,1H3;6H,2-5H2,1H3;1-4H3;5H,2-4H2,1H3;1-3H3,(H2,5,6);5H,1-3H3;4H,2-3H2,1H3;1-2H3,(H3,4,5);1H3,(H4,3,4,5);2*1-2H3/b;;;;;;;6-5+;;;5-4+;;;;;
InChIKeyAPUPDBSABMECFK-ROKPEQGNSA-N
XLogP16.70
TPSA229.56 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001372.42
LogP ≤ 516.70
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylethanimidamide;1,1-dimethylguanidine;1,4-dimethylpiperidine;ethane;1-ethyl-4-methylpiperidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylguanidine;4-methyloxane;4-methylpiperidine;4-methylthiane;N,N,N'-trimethylethanimidamide;1,1,2-trimethylguanidine?
The IUPAC name of N,N-dimethylethanimidamide;1,1-dimethylguanidine;1,4-dimethylpiperidine;ethane;1-ethyl-4-methylpiperidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylguanidine;4-methyloxane;4-methylpiperidine;4-methylthiane;N,N,N'-trimethylethanimidamide;1,1,2-trimethylguanidine (CID 157191996) is N,N-dimethylethanimidamide;1,1-dimethylguanidine;1,4-dimethylpiperidine;ethane;1-ethyl-4-methylpiperidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylguanidine;4-methyloxane;4-methylpiperidine;4-methylthiane;N,N,N'-trimethylethanimidamide;1,1,2-trimethylguanidine.
What is the SMILES notation for N,N-dimethylethanimidamide;1,1-dimethylguanidine;1,4-dimethylpiperidine;ethane;1-ethyl-4-methylpiperidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylguanidine;4-methyloxane;4-methylpiperidine;4-methylthiane;N,N,N'-trimethylethanimidamide;1,1,2-trimethylguanidine?
The canonical SMILES for N,N-dimethylethanimidamide;1,1-dimethylguanidine;1,4-dimethylpiperidine;ethane;1-ethyl-4-methylpiperidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylguanidine;4-methyloxane;4-methylpiperidine;4-methylthiane;N,N,N'-trimethylethanimidamide;1,1,2-trimethylguanidine is C/N=C(\C)N(C)C.C/N=C(\N)N(C)C.CC.CC.CC1CC1.CC1CCC1.CC1CCCC1.CC1CCCCC1.CC1CCN(C)CC1.CC1CCNCC1.CC1CCOCC1.CC1CCSCC1.CCN1CCC(C)CC1.CN=C(N)N.[H]/N=C(\C)N(C)C.[H]/N=C(\N)N(C)C.
What is the InChIKey of N,N-dimethylethanimidamide;1,1-dimethylguanidine;1,4-dimethylpiperidine;ethane;1-ethyl-4-methylpiperidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylguanidine;4-methyloxane;4-methylpiperidine;4-methylthiane;N,N,N'-trimethylethanimidamide;1,1,2-trimethylguanidine?
The InChIKey is APUPDBSABMECFK-ROKPEQGNSA-N. The full InChI is InChI=1S/C8H17N.C7H15N.C7H14.C6H13N.C6H12O.C6H12S.C6H12.C5H12N2.C5H10.C4H11N3.C4H10N2.C4H8.C3H9N3.C2H7N3.2C2H6/c1-3-9-6-4-8(2)5-7-9;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;3*1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-5(6-2)7(3)4;1-5-3-2-4-5;1-6-4(5)7(2)3;1-4(5)6(2)3;1-4-2-3-4;1-6(2)3(4)5;1-5-2(3)4;2*1-2/h8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,2-6H2,1H3;6-7H,2-5H2,1H3;2*6H,2-5H2,1H3;6H,2-5H2,1H3;1-4H3;5H,2-4H2,1H3;1-3H3,(H2,5,6);5H,1-3H3;4H,2-3H2,1H3;1-2H3,(H3,4,5);1H3,(H4,3,4,5);2*1-2H3/b;;;;;;;6-5+;;;5-4+;;;;;.
What are the key properties of N,N-dimethylethanimidamide;1,1-dimethylguanidine;1,4-dimethylpiperidine;ethane;1-ethyl-4-methylpiperidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylguanidine;4-methyloxane;4-methylpiperidine;4-methylthiane;N,N,N'-trimethylethanimidamide;1,1,2-trimethylguanidine?
N,N-dimethylethanimidamide;1,1-dimethylguanidine;1,4-dimethylpiperidine;ethane;1-ethyl-4-methylpiperidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylguanidine;4-methyloxane;4-methylpiperidine;4-methylthiane;N,N,N'-trimethylethanimidamide;1,1,2-trimethylguanidine has a molecular weight of 1372.42 g/mol, XLogP of 16.70, 1 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylethanimidamide;1,1-dimethylguanidine;1,4-dimethylpiperidine;ethane;1-ethyl-4-methylpiperidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane;2-methylguanidine;4-methyloxane;4-methylpiperidine;4-methylthiane;N,N,N'-trimethylethanimidamide;1,1,2-trimethylguanidine is sourced from PubChem (CID 157191996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).