ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

C36H93N3 — CID 167622043

IUPACethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1
InChIInChI=1S/C8H17N.C7H15N.C6H13N.6C2H6.3CH4/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7;6*1-2;;;/h8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;6*1-2H3;3*1H4
InChIKeyMORQZRWCBIMWJW-UHFFFAOYSA-N
MW568.16 g/mol
LogP12.54
Rot. Bonds3

About ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (PubChem CID 167622043) has the molecular formula C36H93N3 and a molecular weight of 568.16 g/mol. Its IUPAC name is ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Nameethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
PubChem CID167622043
Molecular FormulaC36H93N3
Molecular Weight568.16 g/mol
Exact Mass567.74
IUPAC Nameethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1
InChIInChI=1S/C8H17N.C7H15N.C6H13N.6C2H6.3CH4/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7;6*1-2;;;/h8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;6*1-2H3;3*1H4
InChIKeyMORQZRWCBIMWJW-UHFFFAOYSA-N
XLogP12.54
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.16
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
ethane;1-propan-2-ylpyrrolidine
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ethene;1-propan-2-ylpiperidine
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CID 159989792
ethane;1-methylazepane;1-propan-2-ylpiperidine
CID 170601993
propan-2-amine;1-propan-2-ylpiperidine
CID 142245197
methoxymethane;1-propan-2-ylazepane
CID 178173420
methoxymethane;1-propan-2-ylpiperidine
CID 153352735
N,N-dimethylpropan-2-amine;methane;1-propan-2-ylpiperidine
CID 159892581
methane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157479144
fluoroform;1-propan-2-ylpyrrolidine
CID 169177583

Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The IUPAC name of ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (CID 167622043) is ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.
What is the SMILES notation for ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The canonical SMILES for ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is C.C.C.CC.CC.CC.CC.CC.CC.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCCCC1.
What is the InChIKey of ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The InChIKey is MORQZRWCBIMWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C7H15N.C6H13N.6C2H6.3CH4/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7;6*1-2;;;/h8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;6*1-2H3;3*1H4.
What are the key properties of ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine has a molecular weight of 568.16 g/mol, XLogP of 12.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 167622043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).