1-ethyl-1,2,3-trimethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine;methane;N,N,N'-trimethylethanimidamide

C16H39N7 — CID 161359826

IUPAC1-ethyl-1,2,3-trimethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine;methane;N,N,N'-trimethylethanimidamide
SMILESC.C/N=C(\C)N(C)C.CCN(C)/C(=N\C)N(C)/C(=N/C)N(C)C
InChIInChI=1S/C10H23N5.C5H12N2.CH4/c1-8-14(6)10(12-3)15(7)9(11-2)13(4)5;1-5(6-2)7(3)4;/h8H2,1-7H3;1-4H3;1H4/b11-9+,12-10+;6-5+;
InChIKeyVPAKQIKMZQBWQK-LIUNACPYSA-N
MW329.54 g/mol
LogP1.64
Rot. Bonds1

About 1-ethyl-1,2,3-trimethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine;methane;N,N,N'-trimethylethanimidamide

1-ethyl-1,2,3-trimethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine;methane;N,N,N'-trimethylethanimidamide (PubChem CID 161359826) has the molecular formula C16H39N7 and a molecular weight of 329.54 g/mol. Its IUPAC name is 1-ethyl-1,2,3-trimethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine;methane;N,N,N'-trimethylethanimidamide.

Molecular Properties

Compound Name1-ethyl-1,2,3-trimethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine;methane;N,N,N'-trimethylethanimidamide
PubChem CID161359826
Molecular FormulaC16H39N7
Molecular Weight329.54 g/mol
Exact Mass329.33
IUPAC Name1-ethyl-1,2,3-trimethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine;methane;N,N,N'-trimethylethanimidamide
SMILESC.C/N=C(\C)N(C)C.CCN(C)/C(=N\C)N(C)/C(=N/C)N(C)C
InChIInChI=1S/C10H23N5.C5H12N2.CH4/c1-8-14(6)10(12-3)15(7)9(11-2)13(4)5;1-5(6-2)7(3)4;/h8H2,1-7H3;1-4H3;1H4/b11-9+,12-10+;6-5+;
InChIKeyVPAKQIKMZQBWQK-LIUNACPYSA-N
XLogP1.64
TPSA50.04 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.54
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,3-tetramethyl-3-propylguanidine
CID 54549543
bis(diethylamino)-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]sulfanium bromide
CID 21040206
1-ethyl-1,2-dimethylguanidine;methane
CID 158668223
methyl N-methylethanimidothioate;N,N,N'-trimethylethanimidamide
CID 91049347
1-dichloroindiganyl-N-ethyl-N,N'-dimethylmethanimidamide
CID 169094165
1-ethyl-1,2-dimethylguanidine
CID 21191499
N-ethyl-N'-hydroxy-N-methylethanimidamide;dihydrochloride
CID 172735964
1-chloro-1,2,3,3-tetramethylguanidine
CID 53439431
N-ethyl-N-methyl-N'-(methylamino)ethanimidamide
CID 166786257
1-bis[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]phosphanyl-1,2,3,3-tetramethylguanidine
CID 91478563
1-[3-[methoxy(dimethyl)silyl]propyl]-1,2,3,3-tetramethylguanidine
CID 170637665
1-ethyl-3-(hydroxymethyl)-1,3-dimethyl-2-[(E)-prop-1-enyl]guanidine
CID 118490025

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,2,3-trimethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine;methane;N,N,N'-trimethylethanimidamide?
The IUPAC name of 1-ethyl-1,2,3-trimethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine;methane;N,N,N'-trimethylethanimidamide (CID 161359826) is 1-ethyl-1,2,3-trimethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine;methane;N,N,N'-trimethylethanimidamide.
What is the SMILES notation for 1-ethyl-1,2,3-trimethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine;methane;N,N,N'-trimethylethanimidamide?
The canonical SMILES for 1-ethyl-1,2,3-trimethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine;methane;N,N,N'-trimethylethanimidamide is C.C/N=C(\C)N(C)C.CCN(C)/C(=N\C)N(C)/C(=N/C)N(C)C.
What is the InChIKey of 1-ethyl-1,2,3-trimethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine;methane;N,N,N'-trimethylethanimidamide?
The InChIKey is VPAKQIKMZQBWQK-LIUNACPYSA-N. The full InChI is InChI=1S/C10H23N5.C5H12N2.CH4/c1-8-14(6)10(12-3)15(7)9(11-2)13(4)5;1-5(6-2)7(3)4;/h8H2,1-7H3;1-4H3;1H4/b11-9+,12-10+;6-5+;.
What are the key properties of 1-ethyl-1,2,3-trimethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine;methane;N,N,N'-trimethylethanimidamide?
1-ethyl-1,2,3-trimethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine;methane;N,N,N'-trimethylethanimidamide has a molecular weight of 329.54 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,2,3-trimethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine;methane;N,N,N'-trimethylethanimidamide is sourced from PubChem (CID 161359826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).