4-pentyl-N-prop-1-en-2-ylundecan-1-amine

C19H39N — CID 167167942

IUPAC4-pentyl-N-prop-1-en-2-ylundecan-1-amine
SMILESC=C(C)NCCCC(CCCCC)CCCCCCC
InChIInChI=1S/C19H39N/c1-5-7-9-10-12-15-19(14-11-8-6-2)16-13-17-20-18(3)4/h19-20H,3,5-17H2,1-2,4H3
InChIKeyNTDWAVDQRJESFA-UHFFFAOYSA-N
MW281.53 g/mol
LogP6.45
Rot. Bonds15

About 4-pentyl-N-prop-1-en-2-ylundecan-1-amine

4-pentyl-N-prop-1-en-2-ylundecan-1-amine (PubChem CID 167167942) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 4-pentyl-N-prop-1-en-2-ylundecan-1-amine.

Molecular Properties

Compound Name4-pentyl-N-prop-1-en-2-ylundecan-1-amine
PubChem CID167167942
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name4-pentyl-N-prop-1-en-2-ylundecan-1-amine
SMILESC=C(C)NCCCC(CCCCC)CCCCCCC
InChIInChI=1S/C19H39N/c1-5-7-9-10-12-15-19(14-11-8-6-2)16-13-17-20-18(3)4/h19-20H,3,5-17H2,1-2,4H3
InChIKeyNTDWAVDQRJESFA-UHFFFAOYSA-N
XLogP6.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-pentyl-N-prop-1-en-2-ylundecan-1-amine?
The IUPAC name of 4-pentyl-N-prop-1-en-2-ylundecan-1-amine (CID 167167942) is 4-pentyl-N-prop-1-en-2-ylundecan-1-amine.
What is the SMILES notation for 4-pentyl-N-prop-1-en-2-ylundecan-1-amine?
The canonical SMILES for 4-pentyl-N-prop-1-en-2-ylundecan-1-amine is C=C(C)NCCCC(CCCCC)CCCCCCC.
What is the InChIKey of 4-pentyl-N-prop-1-en-2-ylundecan-1-amine?
The InChIKey is NTDWAVDQRJESFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-5-7-9-10-12-15-19(14-11-8-6-2)16-13-17-20-18(3)4/h19-20H,3,5-17H2,1-2,4H3.
What are the key properties of 4-pentyl-N-prop-1-en-2-ylundecan-1-amine?
4-pentyl-N-prop-1-en-2-ylundecan-1-amine has a molecular weight of 281.53 g/mol, XLogP of 6.45, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-N-prop-1-en-2-ylundecan-1-amine is sourced from PubChem (CID 167167942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).