N-prop-2-enylhexadecan-1-amine

C19H39N — CID 11097995

IUPACN-prop-2-enylhexadecan-1-amine
SMILESC=CCNCCCCCCCCCCCCCCCC
InChIInChI=1S/C19H39N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20-18-4-2/h4,20H,2-3,5-19H2,1H3
InChIKeyBGMODKVMRWSBLQ-UHFFFAOYSA-N
MW281.53 g/mol
LogP6.24
Rot. Bonds17

About N-prop-2-enylhexadecan-1-amine

N-prop-2-enylhexadecan-1-amine (PubChem CID 11097995) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is N-prop-2-enylhexadecan-1-amine.

Molecular Properties

Compound NameN-prop-2-enylhexadecan-1-amine
PubChem CID11097995
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC NameN-prop-2-enylhexadecan-1-amine
SMILESC=CCNCCCCCCCCCCCCCCCC
InChIInChI=1S/C19H39N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20-18-4-2/h4,20H,2-3,5-19H2,1H3
InChIKeyBGMODKVMRWSBLQ-UHFFFAOYSA-N
XLogP6.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylhexadecan-1-amine?
The IUPAC name of N-prop-2-enylhexadecan-1-amine (CID 11097995) is N-prop-2-enylhexadecan-1-amine.
What is the SMILES notation for N-prop-2-enylhexadecan-1-amine?
The canonical SMILES for N-prop-2-enylhexadecan-1-amine is C=CCNCCCCCCCCCCCCCCCC.
What is the InChIKey of N-prop-2-enylhexadecan-1-amine?
The InChIKey is BGMODKVMRWSBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20-18-4-2/h4,20H,2-3,5-19H2,1H3.
What are the key properties of N-prop-2-enylhexadecan-1-amine?
N-prop-2-enylhexadecan-1-amine has a molecular weight of 281.53 g/mol, XLogP of 6.24, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylhexadecan-1-amine is sourced from PubChem (CID 11097995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).