N-ethyl-4-methylpentadecan-6-amine

C18H39N — CID 115845701

IUPACN-ethyl-4-methylpentadecan-6-amine
SMILESCCCCCCCCCC(CC(C)CCC)NCC
InChIInChI=1S/C18H39N/c1-5-8-9-10-11-12-13-15-18(19-7-3)16-17(4)14-6-2/h17-19H,5-16H2,1-4H3
InChIKeyCIVKDLWJOFJDMP-UHFFFAOYSA-N
MW269.52 g/mol
LogP5.93
Rot. Bonds14

About N-ethyl-4-methylpentadecan-6-amine

N-ethyl-4-methylpentadecan-6-amine (PubChem CID 115845701) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is N-ethyl-4-methylpentadecan-6-amine.

Molecular Properties

Compound NameN-ethyl-4-methylpentadecan-6-amine
PubChem CID115845701
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC NameN-ethyl-4-methylpentadecan-6-amine
SMILESCCCCCCCCCC(CC(C)CCC)NCC
InChIInChI=1S/C18H39N/c1-5-8-9-10-11-12-13-15-18(19-7-3)16-17(4)14-6-2/h17-19H,5-16H2,1-4H3
InChIKeyCIVKDLWJOFJDMP-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-methyldodecan-4-amine
CID 63412709
N-ethylhexadecan-4-amine
CID 63413885
N-ethyltetradecan-7-amine
CID 87847195
4-methylpentadecan-6-ylhydrazine
CID 105298107
N-ethylnonan-3-amine
CID 60996683
N-ethyldecan-5-amine
CID 79405026
(4R,6S)-4,6-dimethyldodecane
CID 162976966
N-ethyl-2-methylheptadecan-6-amine
CID 105028964
N,5-diethylpentadecan-7-amine
CID 115806799
2-(ethylamino)nonan-1-ol
CID 61050713
N-ethyldecan-3-amine;dihydrochloride
CID 175708733
(4R)-4-methyldecane
CID 57191620

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methylpentadecan-6-amine?
The IUPAC name of N-ethyl-4-methylpentadecan-6-amine (CID 115845701) is N-ethyl-4-methylpentadecan-6-amine.
What is the SMILES notation for N-ethyl-4-methylpentadecan-6-amine?
The canonical SMILES for N-ethyl-4-methylpentadecan-6-amine is CCCCCCCCCC(CC(C)CCC)NCC.
What is the InChIKey of N-ethyl-4-methylpentadecan-6-amine?
The InChIKey is CIVKDLWJOFJDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-5-8-9-10-11-12-13-15-18(19-7-3)16-17(4)14-6-2/h17-19H,5-16H2,1-4H3.
What are the key properties of N-ethyl-4-methylpentadecan-6-amine?
N-ethyl-4-methylpentadecan-6-amine has a molecular weight of 269.52 g/mol, XLogP of 5.93, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylpentadecan-6-amine is sourced from PubChem (CID 115845701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).