3-methyl-2-nona-2,3-dienyl-N-pentylcyclobutan-1-amine

C19H35N — CID 123444703

IUPAC3-methyl-2-nona-2,3-dienyl-N-pentylcyclobutan-1-amine
SMILESCCCCCC=C=CCC1C(C)CC1NCCCCC
InChIInChI=1S/C19H35N/c1-4-6-8-9-10-11-12-14-18-17(3)16-19(18)20-15-13-7-5-2/h10,12,17-20H,4-9,13-16H2,1-3H3
InChIKeyWCZVHMXREMZLAN-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.47
Rot. Bonds11

About 3-methyl-2-nona-2,3-dienyl-N-pentylcyclobutan-1-amine

3-methyl-2-nona-2,3-dienyl-N-pentylcyclobutan-1-amine (PubChem CID 123444703) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 3-methyl-2-nona-2,3-dienyl-N-pentylcyclobutan-1-amine.

Molecular Properties

Compound Name3-methyl-2-nona-2,3-dienyl-N-pentylcyclobutan-1-amine
PubChem CID123444703
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name3-methyl-2-nona-2,3-dienyl-N-pentylcyclobutan-1-amine
SMILESCCCCCC=C=CCC1C(C)CC1NCCCCC
InChIInChI=1S/C19H35N/c1-4-6-8-9-10-11-12-14-18-17(3)16-19(18)20-15-13-7-5-2/h10,12,17-20H,4-9,13-16H2,1-3H3
InChIKeyWCZVHMXREMZLAN-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.47
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 3-methyl-2-nona-2,3-dienyl-N-pentylcyclobutan-1-amine?
The IUPAC name of 3-methyl-2-nona-2,3-dienyl-N-pentylcyclobutan-1-amine (CID 123444703) is 3-methyl-2-nona-2,3-dienyl-N-pentylcyclobutan-1-amine.
What is the SMILES notation for 3-methyl-2-nona-2,3-dienyl-N-pentylcyclobutan-1-amine?
The canonical SMILES for 3-methyl-2-nona-2,3-dienyl-N-pentylcyclobutan-1-amine is CCCCCC=C=CCC1C(C)CC1NCCCCC.
What is the InChIKey of 3-methyl-2-nona-2,3-dienyl-N-pentylcyclobutan-1-amine?
The InChIKey is WCZVHMXREMZLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-4-6-8-9-10-11-12-14-18-17(3)16-19(18)20-15-13-7-5-2/h10,12,17-20H,4-9,13-16H2,1-3H3.
What are the key properties of 3-methyl-2-nona-2,3-dienyl-N-pentylcyclobutan-1-amine?
3-methyl-2-nona-2,3-dienyl-N-pentylcyclobutan-1-amine has a molecular weight of 277.50 g/mol, XLogP of 5.47, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-nona-2,3-dienyl-N-pentylcyclobutan-1-amine is sourced from PubChem (CID 123444703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).