N-ethylheptadec-1-yn-6-amine

C19H37N — CID 105034079

IUPACN-ethylheptadec-1-yn-6-amine
SMILESC#CCCCC(CCCCCCCCCCC)NCC
InChIInChI=1S/C19H37N/c1-4-7-9-10-11-12-13-14-16-18-19(20-6-3)17-15-8-5-2/h2,19-20H,4,6-18H2,1,3H3
InChIKeyVJGNTIZTORTLDR-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.69
Rot. Bonds15

About N-ethylheptadec-1-yn-6-amine

N-ethylheptadec-1-yn-6-amine (PubChem CID 105034079) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N-ethylheptadec-1-yn-6-amine.

Molecular Properties

Compound NameN-ethylheptadec-1-yn-6-amine
PubChem CID105034079
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN-ethylheptadec-1-yn-6-amine
SMILESC#CCCCC(CCCCCCCCCCC)NCC
InChIInChI=1S/C19H37N/c1-4-7-9-10-11-12-13-14-16-18-19(20-6-3)17-15-8-5-2/h2,19-20H,4,6-18H2,1,3H3
InChIKeyVJGNTIZTORTLDR-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethylheptadec-1-yn-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethylhexadec-1-yn-5-amine
CID 115859541
N-ethyltetradecan-7-amine
CID 87847195
N-propylhexadec-1-yn-5-amine
CID 115859157
N-propylundec-1-yn-5-amine
CID 115859385
N-propyldodec-1-yn-5-amine
CID 115859300
N-ethylhexadecan-4-amine
CID 63413885
N-ethyldecan-5-amine
CID 79405026
6-methyldodec-1-yne
CID 123369200
N-ethylnonan-3-amine
CID 60996683
CID 172706336
CID 172706336
N-ethyl-2-methylheptadecan-6-amine
CID 105028964
2-(ethylamino)nonan-1-ol
CID 61050713

Frequently Asked Questions

What is the IUPAC name of N-ethylheptadec-1-yn-6-amine?
The IUPAC name of N-ethylheptadec-1-yn-6-amine (CID 105034079) is N-ethylheptadec-1-yn-6-amine.
What is the SMILES notation for N-ethylheptadec-1-yn-6-amine?
The canonical SMILES for N-ethylheptadec-1-yn-6-amine is C#CCCCC(CCCCCCCCCCC)NCC.
What is the InChIKey of N-ethylheptadec-1-yn-6-amine?
The InChIKey is VJGNTIZTORTLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-4-7-9-10-11-12-13-14-16-18-19(20-6-3)17-15-8-5-2/h2,19-20H,4,6-18H2,1,3H3.
What are the key properties of N-ethylheptadec-1-yn-6-amine?
N-ethylheptadec-1-yn-6-amine has a molecular weight of 279.51 g/mol, XLogP of 5.69, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylheptadec-1-yn-6-amine is sourced from PubChem (CID 105034079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).