N-octyl-N-prop-2-enyloctan-1-amine

C19H39N — CID 4562804

IUPACN-octyl-N-prop-2-enyloctan-1-amine
SMILESC=CCN(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C19H39N/c1-4-7-9-11-13-15-18-20(17-6-3)19-16-14-12-10-8-5-2/h6H,3-5,7-19H2,1-2H3
InChIKeyKTTAXOZHFOSJFB-UHFFFAOYSA-N
MW281.53 g/mol
LogP6.20
Rot. Bonds16

About N-octyl-N-prop-2-enyloctan-1-amine

N-octyl-N-prop-2-enyloctan-1-amine (PubChem CID 4562804) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is N-octyl-N-prop-2-enyloctan-1-amine.

Molecular Properties

Compound NameN-octyl-N-prop-2-enyloctan-1-amine
PubChem CID4562804
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC NameN-octyl-N-prop-2-enyloctan-1-amine
SMILESC=CCN(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C19H39N/c1-4-7-9-11-13-15-18-20(17-6-3)19-16-14-12-10-8-5-2/h6H,3-5,7-19H2,1-2H3
InChIKeyKTTAXOZHFOSJFB-UHFFFAOYSA-N
XLogP6.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.20
H-Bond Donors ≤ 50
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-octyl-N-prop-2-enyloctan-1-amine?
The IUPAC name of N-octyl-N-prop-2-enyloctan-1-amine (CID 4562804) is N-octyl-N-prop-2-enyloctan-1-amine.
What is the SMILES notation for N-octyl-N-prop-2-enyloctan-1-amine?
The canonical SMILES for N-octyl-N-prop-2-enyloctan-1-amine is C=CCN(CCCCCCCC)CCCCCCCC.
What is the InChIKey of N-octyl-N-prop-2-enyloctan-1-amine?
The InChIKey is KTTAXOZHFOSJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-4-7-9-11-13-15-18-20(17-6-3)19-16-14-12-10-8-5-2/h6H,3-5,7-19H2,1-2H3.
What are the key properties of N-octyl-N-prop-2-enyloctan-1-amine?
N-octyl-N-prop-2-enyloctan-1-amine has a molecular weight of 281.53 g/mol, XLogP of 6.20, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-N-prop-2-enyloctan-1-amine is sourced from PubChem (CID 4562804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).