N-ethylhexadecan-4-amine

C18H39N — CID 63413885

IUPACN-ethylhexadecan-4-amine
SMILESCCCCCCCCCCCCC(CCC)NCC
InChIInChI=1S/C18H39N/c1-4-7-8-9-10-11-12-13-14-15-17-18(16-5-2)19-6-3/h18-19H,4-17H2,1-3H3
InChIKeyVQCOFZJWOSEULA-UHFFFAOYSA-N
MW269.52 g/mol
LogP6.08
Rot. Bonds15

About N-ethylhexadecan-4-amine

N-ethylhexadecan-4-amine (PubChem CID 63413885) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is N-ethylhexadecan-4-amine.

Molecular Properties

Compound NameN-ethylhexadecan-4-amine
PubChem CID63413885
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC NameN-ethylhexadecan-4-amine
SMILESCCCCCCCCCCCCC(CCC)NCC
InChIInChI=1S/C18H39N/c1-4-7-8-9-10-11-12-13-14-15-17-18(16-5-2)19-6-3/h18-19H,4-17H2,1-3H3
InChIKeyVQCOFZJWOSEULA-UHFFFAOYSA-N
XLogP6.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 56.08
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-ethyltetradecan-7-amine
CID 87847195
N-ethyldecan-5-amine
CID 79405026
N-ethylnonan-3-amine
CID 60996683
N-ethyl-2-methylheptadecan-6-amine
CID 105028964
2-(ethylamino)nonan-1-ol
CID 61050713
N-ethyldecan-3-amine;dihydrochloride
CID 175708733
N-ethyl-10-methoxydecan-4-amine
CID 104650043
N-ethyl-4-methylpentadecan-6-amine
CID 115845701
1-ethoxy-N-ethylundecan-4-amine
CID 105124652
N-ethyl-1-methoxypentadecan-4-amine
CID 105055072
1-N,4-N-diethylnonane-1,4-diamine
CID 126574797
N-ethyl-2-methyldodecan-4-amine
CID 63412709

Frequently Asked Questions

What is the IUPAC name of N-ethylhexadecan-4-amine?
The IUPAC name of N-ethylhexadecan-4-amine (CID 63413885) is N-ethylhexadecan-4-amine.
What is the SMILES notation for N-ethylhexadecan-4-amine?
The canonical SMILES for N-ethylhexadecan-4-amine is CCCCCCCCCCCCC(CCC)NCC.
What is the InChIKey of N-ethylhexadecan-4-amine?
The InChIKey is VQCOFZJWOSEULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-4-7-8-9-10-11-12-13-14-15-17-18(16-5-2)19-6-3/h18-19H,4-17H2,1-3H3.
What are the key properties of N-ethylhexadecan-4-amine?
N-ethylhexadecan-4-amine has a molecular weight of 269.52 g/mol, XLogP of 6.08, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylhexadecan-4-amine is sourced from PubChem (CID 63413885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).