3-methylheptadecane-2,2-diamine

C18H40N2 — CID 141040528

IUPAC3-methylheptadecane-2,2-diamine
SMILESCCCCCCCCCCCCCCC(C)C(C)(N)N
InChIInChI=1S/C18H40N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18(3,19)20/h17H,4-16,19-20H2,1-3H3
InChIKeyLTALBQNEOHQSHV-UHFFFAOYSA-N
MW284.53 g/mol
LogP5.35
Rot. Bonds14

About 3-methylheptadecane-2,2-diamine

3-methylheptadecane-2,2-diamine (PubChem CID 141040528) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is 3-methylheptadecane-2,2-diamine.

Molecular Properties

Compound Name3-methylheptadecane-2,2-diamine
PubChem CID141040528
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC Name3-methylheptadecane-2,2-diamine
SMILESCCCCCCCCCCCCCCC(C)C(C)(N)N
InChIInChI=1S/C18H40N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18(3,19)20/h17H,4-16,19-20H2,1-3H3
InChIKeyLTALBQNEOHQSHV-UHFFFAOYSA-N
XLogP5.35
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.53
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethylhexadecan-2-amine
CID 87479269
2,3-dimethylnonan-2-amine;hydrofluoride
CID 173042328
2-amino-3-methylheptadecan-2-ol
CID 88695872
11,12-dimethylheptacosan-11-amine
CID 174255229
2,2,3-trimethylundecane
CID 21285055
3-ethyl-4-methylicosan-3-amine
CID 88992847
2,3-dimethyltridecane-2-thiol
CID 175066611
2-chloro-2,3-dimethylnonane
CID 87897655
2-chloro-2,3-dimethyltridecane
CID 87222996
2,3,3,4-tetramethylnonadecane
CID 174953704
2-iodo-2,3-dimethylnonane
CID 157257011
2,3-dimethylnonadecan-2-ylsilane
CID 175060938

Frequently Asked Questions

What is the IUPAC name of 3-methylheptadecane-2,2-diamine?
The IUPAC name of 3-methylheptadecane-2,2-diamine (CID 141040528) is 3-methylheptadecane-2,2-diamine.
What is the SMILES notation for 3-methylheptadecane-2,2-diamine?
The canonical SMILES for 3-methylheptadecane-2,2-diamine is CCCCCCCCCCCCCCC(C)C(C)(N)N.
What is the InChIKey of 3-methylheptadecane-2,2-diamine?
The InChIKey is LTALBQNEOHQSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18(3,19)20/h17H,4-16,19-20H2,1-3H3.
What are the key properties of 3-methylheptadecane-2,2-diamine?
3-methylheptadecane-2,2-diamine has a molecular weight of 284.53 g/mol, XLogP of 5.35, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylheptadecane-2,2-diamine is sourced from PubChem (CID 141040528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).