2,15,18-trimethylnonadecane-4,13-diamine

C22H48N2 — CID 56622666

IUPAC2,15,18-trimethylnonadecane-4,13-diamine
SMILESCC(C)CCC(C)CC(N)CCCCCCCCC(N)CC(C)C
InChIInChI=1S/C22H48N2/c1-18(2)14-15-20(5)17-22(24)13-11-9-7-6-8-10-12-21(23)16-19(3)4/h18-22H,6-17,23-24H2,1-5H3
InChIKeyLORGPJUVQJVSGF-UHFFFAOYSA-N
MW340.64 g/mol
LogP6.27
Rot. Bonds16

About 2,15,18-trimethylnonadecane-4,13-diamine

2,15,18-trimethylnonadecane-4,13-diamine (PubChem CID 56622666) has the molecular formula C22H48N2 and a molecular weight of 340.64 g/mol. Its IUPAC name is 2,15,18-trimethylnonadecane-4,13-diamine.

Molecular Properties

Compound Name2,15,18-trimethylnonadecane-4,13-diamine
PubChem CID56622666
Molecular FormulaC22H48N2
Molecular Weight340.64 g/mol
Exact Mass340.38
IUPAC Name2,15,18-trimethylnonadecane-4,13-diamine
SMILESCC(C)CCC(C)CC(N)CCCCCCCCC(N)CC(C)C
InChIInChI=1S/C22H48N2/c1-18(2)14-15-20(5)17-22(24)13-11-9-7-6-8-10-12-21(23)16-19(3)4/h18-22H,6-17,23-24H2,1-5H3
InChIKeyLORGPJUVQJVSGF-UHFFFAOYSA-N
XLogP6.27
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.64
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3,11-dimethyldodecan-5-amine
CID 174258758
(4R)-2-methyldecan-4-amine
CID 14572815
(4R)-2-methylnonan-4-amine;hydrochloride
CID 14572809
2,34-dimethylpentatriacontan-18-amine
CID 141007495
2,7-dimethylundecan-4-amine
CID 20767200
2,4,10,15,19,23-hexamethyltetracosane
CID 71327414
2-methylnon-8-en-4-amine
CID 11829678
2,7-dimethyloctane;2,4,6-trimethylheptane
CID 160877277
ethane;2-methylpropane;propane;2,4,7-trimethyloctane
CID 144533739
(5S)-5-amino-7-methyloctanoic acid
CID 178163139
2,8-dimethylnonan-5-amine
CID 15030000
2,22-dimethyltricosane
CID 58100191

Frequently Asked Questions

What is the IUPAC name of 2,15,18-trimethylnonadecane-4,13-diamine?
The IUPAC name of 2,15,18-trimethylnonadecane-4,13-diamine (CID 56622666) is 2,15,18-trimethylnonadecane-4,13-diamine.
What is the SMILES notation for 2,15,18-trimethylnonadecane-4,13-diamine?
The canonical SMILES for 2,15,18-trimethylnonadecane-4,13-diamine is CC(C)CCC(C)CC(N)CCCCCCCCC(N)CC(C)C.
What is the InChIKey of 2,15,18-trimethylnonadecane-4,13-diamine?
The InChIKey is LORGPJUVQJVSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N2/c1-18(2)14-15-20(5)17-22(24)13-11-9-7-6-8-10-12-21(23)16-19(3)4/h18-22H,6-17,23-24H2,1-5H3.
What are the key properties of 2,15,18-trimethylnonadecane-4,13-diamine?
2,15,18-trimethylnonadecane-4,13-diamine has a molecular weight of 340.64 g/mol, XLogP of 6.27, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,15,18-trimethylnonadecane-4,13-diamine is sourced from PubChem (CID 56622666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).