15-methyl-N,N-dipropylhexadecan-1-amine

C23H49N — CID 139724040

IUPAC15-methyl-N,N-dipropylhexadecan-1-amine
SMILESCCCN(CCC)CCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C23H49N/c1-5-20-24(21-6-2)22-18-16-14-12-10-8-7-9-11-13-15-17-19-23(3)4/h23H,5-22H2,1-4H3
InChIKeyLYMRBWXFFGKZQE-UHFFFAOYSA-N
MW339.65 g/mol
LogP7.84
Rot. Bonds19

About 15-methyl-N,N-dipropylhexadecan-1-amine

15-methyl-N,N-dipropylhexadecan-1-amine (PubChem CID 139724040) has the molecular formula C23H49N and a molecular weight of 339.65 g/mol. Its IUPAC name is 15-methyl-N,N-dipropylhexadecan-1-amine.

Molecular Properties

Compound Name15-methyl-N,N-dipropylhexadecan-1-amine
PubChem CID139724040
Molecular FormulaC23H49N
Molecular Weight339.65 g/mol
Exact Mass339.39
IUPAC Name15-methyl-N,N-dipropylhexadecan-1-amine
SMILESCCCN(CCC)CCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C23H49N/c1-5-20-24(21-6-2)22-18-16-14-12-10-8-7-9-11-13-15-17-19-23(3)4/h23H,5-22H2,1-4H3
InChIKeyLYMRBWXFFGKZQE-UHFFFAOYSA-N
XLogP7.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.65
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-N,N-dipropyloctan-1-amine
CID 140640733
13-methyl-N,N-di(tetradecyl)tetradecan-1-amine
CID 139722739
11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine
CID 139722518
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859
N-(9-methyldecyl)-N-octadecyloctadecan-1-amine
CID 139722861
N,N-didodecyl-16-methylheptadecan-1-amine
CID 139723359
N,N-bis(12-methyltridecyl)heptadecan-1-amine
CID 139722647
N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine
CID 139723142
N-(12-methyltridecyl)-N-octadecyloctadecan-1-amine
CID 139723792
N,N-dibutyl-12-methyltridecan-1-amine
CID 139723221
N-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine
CID 139723116
N,N-bis(10-methylundecyl)hexadecan-1-amine
CID 139723319

Frequently Asked Questions

What is the IUPAC name of 15-methyl-N,N-dipropylhexadecan-1-amine?
The IUPAC name of 15-methyl-N,N-dipropylhexadecan-1-amine (CID 139724040) is 15-methyl-N,N-dipropylhexadecan-1-amine.
What is the SMILES notation for 15-methyl-N,N-dipropylhexadecan-1-amine?
The canonical SMILES for 15-methyl-N,N-dipropylhexadecan-1-amine is CCCN(CCC)CCCCCCCCCCCCCCC(C)C.
What is the InChIKey of 15-methyl-N,N-dipropylhexadecan-1-amine?
The InChIKey is LYMRBWXFFGKZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49N/c1-5-20-24(21-6-2)22-18-16-14-12-10-8-7-9-11-13-15-17-19-23(3)4/h23H,5-22H2,1-4H3.
What are the key properties of 15-methyl-N,N-dipropylhexadecan-1-amine?
15-methyl-N,N-dipropylhexadecan-1-amine has a molecular weight of 339.65 g/mol, XLogP of 7.84, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-N,N-dipropylhexadecan-1-amine is sourced from PubChem (CID 139724040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).