1-cyclobutyl-N-propyldodecan-1-amine

C19H39N — CID 105049365

IUPAC1-cyclobutyl-N-propyldodecan-1-amine
SMILESCCCCCCCCCCCC(NCCC)C1CCC1
InChIInChI=1S/C19H39N/c1-3-5-6-7-8-9-10-11-12-16-19(20-17-4-2)18-14-13-15-18/h18-20H,3-17H2,1-2H3
InChIKeyAPAHSDPQRKHHNL-UHFFFAOYSA-N
MW281.53 g/mol
LogP6.08
Rot. Bonds14

About 1-cyclobutyl-N-propyldodecan-1-amine

1-cyclobutyl-N-propyldodecan-1-amine (PubChem CID 105049365) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 1-cyclobutyl-N-propyldodecan-1-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-propyldodecan-1-amine
PubChem CID105049365
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name1-cyclobutyl-N-propyldodecan-1-amine
SMILESCCCCCCCCCCCC(NCCC)C1CCC1
InChIInChI=1S/C19H39N/c1-3-5-6-7-8-9-10-11-12-16-19(20-17-4-2)18-14-13-15-18/h18-20H,3-17H2,1-2H3
InChIKeyAPAHSDPQRKHHNL-UHFFFAOYSA-N
XLogP6.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.08
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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Related Compounds

1-cyclopropyl-N-propyltridecan-1-amine
CID 63413531
1-cyclopropyl-N-propylhexan-1-amine
CID 62600983
1-cyclobutyl-N-ethylundecan-1-amine
CID 64986983
1-(oxan-3-yl)-N-propyldecan-1-amine
CID 65332318
1-(4,4-dimethylcyclohexyl)-N-propylhexan-1-amine
CID 65390648
1-(4,4-difluorocyclohexyl)-N-propylnonan-1-amine
CID 105128102
1-cyclooctyl-N-ethylheptan-1-amine
CID 80603132
1-cyclohexyl-N-ethyloctan-1-amine
CID 63413572
1-cyclohexyl-N-ethyldodecan-1-amine
CID 114981553
1-(4-methylcyclohexyl)-N-propylpentan-1-amine
CID 63415743
N-butyl-1-cyclopentylbutan-1-amine
CID 173232536
1-(1,1-dioxothiolan-3-yl)-N-propylnonan-1-amine
CID 115336970

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-propyldodecan-1-amine?
The IUPAC name of 1-cyclobutyl-N-propyldodecan-1-amine (CID 105049365) is 1-cyclobutyl-N-propyldodecan-1-amine.
What is the SMILES notation for 1-cyclobutyl-N-propyldodecan-1-amine?
The canonical SMILES for 1-cyclobutyl-N-propyldodecan-1-amine is CCCCCCCCCCCC(NCCC)C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-propyldodecan-1-amine?
The InChIKey is APAHSDPQRKHHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-3-5-6-7-8-9-10-11-12-16-19(20-17-4-2)18-14-13-15-18/h18-20H,3-17H2,1-2H3.
What are the key properties of 1-cyclobutyl-N-propyldodecan-1-amine?
1-cyclobutyl-N-propyldodecan-1-amine has a molecular weight of 281.53 g/mol, XLogP of 6.08, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-propyldodecan-1-amine is sourced from PubChem (CID 105049365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).