N-propylhexadec-1-yn-5-amine

C19H37N — CID 115859157

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

About N-propylhexadec-1-yn-5-amine

N-propylhexadec-1-yn-5-amine (PubChem CID 115859157) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N-propylhexadec-1-yn-5-amine.

Molecular Properties

Compound NameN-propylhexadec-1-yn-5-amine
PubChem CID115859157
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN-propylhexadec-1-yn-5-amine
SMILESC#CCCC(CCCCCCCCCCC)NCCC
InChIInChI=1S/C19H37N/c1-4-7-9-10-11-12-13-14-15-17-19(16-8-5-2)20-18-6-3/h2,19-20H,4,6-18H2,1,3H3
InChIKeyBVGCWOYBQPHIJQ-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'}

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Related Compounds

N-propylundec-1-yn-5-amine
CID 115859385
N-propyldodec-1-yn-5-amine
CID 115859300
N-ethylhexadec-1-yn-5-amine
CID 115859541
N-propyldodec-1-yn-4-amine
CID 114977040
N-propyldodec-2-yn-6-amine
CID 105037370
N-propylheptadec-2-yn-6-amine
CID 105037149
N-ethylheptadec-1-yn-6-amine
CID 105034079
3-(propylamino)dodecan-1-ol
CID 114078400
2,2-dimethyl-N-propyloct-7-yn-4-amine
CID 63890246
1-methoxy-N-propyldodecan-4-amine
CID 65091880
1,1,1-trifluoro-N-propyldodecan-4-amine
CID 79964145
N-propylundec-1-en-5-amine
CID 104987530

Frequently Asked Questions

What is the IUPAC name of N-propylhexadec-1-yn-5-amine?
The IUPAC name of N-propylhexadec-1-yn-5-amine (CID 115859157) is N-propylhexadec-1-yn-5-amine.
What is the SMILES notation for N-propylhexadec-1-yn-5-amine?
The canonical SMILES for N-propylhexadec-1-yn-5-amine is C#CCCC(CCCCCCCCCCC)NCCC.
What is the InChIKey of N-propylhexadec-1-yn-5-amine?
The InChIKey is BVGCWOYBQPHIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-4-7-9-10-11-12-13-14-15-17-19(16-8-5-2)20-18-6-3/h2,19-20H,4,6-18H2,1,3H3.
What are the key properties of N-propylhexadec-1-yn-5-amine?
N-propylhexadec-1-yn-5-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-propylhexadec-1-yn-5-amine is sourced from PubChem (CID 115859157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).