octadec-5-yn-1-amine

C18H35N — CID 87547791

IUPACoctadec-5-yn-1-amine
SMILESCCCCCCCCCCCCC#CCCCCN
InChIInChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-12,15-19H2,1H3
InChIKeyNMWNVDXYTGLAPY-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.43
Rot. Bonds13

About octadec-5-yn-1-amine

octadec-5-yn-1-amine (PubChem CID 87547791) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is octadec-5-yn-1-amine.

Molecular Properties

Compound Nameoctadec-5-yn-1-amine
PubChem CID87547791
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Nameoctadec-5-yn-1-amine
SMILESCCCCCCCCCCCCC#CCCCCN
InChIInChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-12,15-19H2,1H3
InChIKeyNMWNVDXYTGLAPY-UHFFFAOYSA-N
XLogP5.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.43
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'}

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Related Compounds

tridec-6-yn-1-amine
CID 15707496
dodec-4-yn-1-amine
CID 15707491
henicos-8-yne
CID 22224321
non-6-yn-1-amine
CID 87675821
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
octadecan-1-amine;hydrate
CID 158026408

Frequently Asked Questions

What is the IUPAC name of octadec-5-yn-1-amine?
The IUPAC name of octadec-5-yn-1-amine (CID 87547791) is octadec-5-yn-1-amine.
What is the SMILES notation for octadec-5-yn-1-amine?
The canonical SMILES for octadec-5-yn-1-amine is CCCCCCCCCCCCC#CCCCCN.
What is the InChIKey of octadec-5-yn-1-amine?
The InChIKey is NMWNVDXYTGLAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-12,15-19H2,1H3.
What are the key properties of octadec-5-yn-1-amine?
octadec-5-yn-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.43, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadec-5-yn-1-amine is sourced from PubChem (CID 87547791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).