N-hex-1-yn-3-yloctan-1-amine

C14H27N — CID 106225987

IUPACN-hex-1-yn-3-yloctan-1-amine
SMILESC#CC(CCC)NCCCCCCCC
InChIInChI=1S/C14H27N/c1-4-7-8-9-10-11-13-15-14(6-3)12-5-2/h3,14-15H,4-5,7-13H2,1-2H3
InChIKeyBIBCCVXCJDKJNW-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.74
Rot. Bonds10

About N-hex-1-yn-3-yloctan-1-amine

N-hex-1-yn-3-yloctan-1-amine (PubChem CID 106225987) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-hex-1-yn-3-yloctan-1-amine.

Molecular Properties

Compound NameN-hex-1-yn-3-yloctan-1-amine
PubChem CID106225987
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-hex-1-yn-3-yloctan-1-amine
SMILESC#CC(CCC)NCCCCCCCC
InChIInChI=1S/C14H27N/c1-4-7-8-9-10-11-13-15-14(6-3)12-5-2/h3,14-15H,4-5,7-13H2,1-2H3
InChIKeyBIBCCVXCJDKJNW-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.74
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-hex-1-yn-3-yloctan-1-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-hex-1-yn-3-yldecan-1-amine
CID 106226428
N-pent-1-yn-3-ylheptan-1-amine
CID 106224467
N-butylpent-1-yn-3-amine
CID 57076598
N'-tert-butyl-N-hex-1-yn-3-ylethane-1,2-diamine
CID 106226213
N-hexan-3-ylhexan-1-amine
CID 62117591
N-(3-phenoxypropyl)hex-1-yn-3-amine
CID 106230103
N-hex-1-yn-3-ylheptan-2-amine
CID 106226899
N-pentan-2-ylheptan-1-amine
CID 43129169
N-[2-(3-methylbutoxy)ethyl]hex-1-yn-3-amine
CID 106229882
3-(hex-1-yn-3-ylamino)-N,N-dimethylpropanamide
CID 106230179
N-(2-tert-butylsulfonylethyl)hex-1-yn-3-amine
CID 106230146
N-tridecylpentadecan-3-amine
CID 88820168

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yloctan-1-amine?
The IUPAC name of N-hex-1-yn-3-yloctan-1-amine (CID 106225987) is N-hex-1-yn-3-yloctan-1-amine.
What is the SMILES notation for N-hex-1-yn-3-yloctan-1-amine?
The canonical SMILES for N-hex-1-yn-3-yloctan-1-amine is C#CC(CCC)NCCCCCCCC.
What is the InChIKey of N-hex-1-yn-3-yloctan-1-amine?
The InChIKey is BIBCCVXCJDKJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-4-7-8-9-10-11-13-15-14(6-3)12-5-2/h3,14-15H,4-5,7-13H2,1-2H3.
What are the key properties of N-hex-1-yn-3-yloctan-1-amine?
N-hex-1-yn-3-yloctan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-yloctan-1-amine is sourced from PubChem (CID 106225987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).