4-methyl-N-octyl-4-prop-2-enylhept-6-en-2-amine

C19H37N — CID 166059863

IUPAC4-methyl-N-octyl-4-prop-2-enylhept-6-en-2-amine
SMILESC=CCC(C)(CC=C)CC(C)NCCCCCCCC
InChIInChI=1S/C19H37N/c1-6-9-10-11-12-13-16-20-18(4)17-19(5,14-7-2)15-8-3/h7-8,18,20H,2-3,6,9-17H2,1,4-5H3
InChIKeyFZGOVRSBKNYLGJ-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.87
Rot. Bonds14

About 4-methyl-N-octyl-4-prop-2-enylhept-6-en-2-amine

4-methyl-N-octyl-4-prop-2-enylhept-6-en-2-amine (PubChem CID 166059863) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is 4-methyl-N-octyl-4-prop-2-enylhept-6-en-2-amine.

Molecular Properties

Compound Name4-methyl-N-octyl-4-prop-2-enylhept-6-en-2-amine
PubChem CID166059863
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Name4-methyl-N-octyl-4-prop-2-enylhept-6-en-2-amine
SMILESC=CCC(C)(CC=C)CC(C)NCCCCCCCC
InChIInChI=1S/C19H37N/c1-6-9-10-11-12-13-16-20-18(4)17-19(5,14-7-2)15-8-3/h7-8,18,20H,2-3,6,9-17H2,1,4-5H3
InChIKeyFZGOVRSBKNYLGJ-UHFFFAOYSA-N
XLogP5.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.87
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 4-methyl-N-octyl-4-prop-2-enylhept-6-en-2-amine?
The IUPAC name of 4-methyl-N-octyl-4-prop-2-enylhept-6-en-2-amine (CID 166059863) is 4-methyl-N-octyl-4-prop-2-enylhept-6-en-2-amine.
What is the SMILES notation for 4-methyl-N-octyl-4-prop-2-enylhept-6-en-2-amine?
The canonical SMILES for 4-methyl-N-octyl-4-prop-2-enylhept-6-en-2-amine is C=CCC(C)(CC=C)CC(C)NCCCCCCCC.
What is the InChIKey of 4-methyl-N-octyl-4-prop-2-enylhept-6-en-2-amine?
The InChIKey is FZGOVRSBKNYLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-6-9-10-11-12-13-16-20-18(4)17-19(5,14-7-2)15-8-3/h7-8,18,20H,2-3,6,9-17H2,1,4-5H3.
What are the key properties of 4-methyl-N-octyl-4-prop-2-enylhept-6-en-2-amine?
4-methyl-N-octyl-4-prop-2-enylhept-6-en-2-amine has a molecular weight of 279.51 g/mol, XLogP of 5.87, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-octyl-4-prop-2-enylhept-6-en-2-amine is sourced from PubChem (CID 166059863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).