1-cyclopentyl-N-propyldodecan-2-amine

C20H41N — CID 115845917

IUPAC1-cyclopentyl-N-propyldodecan-2-amine
SMILESCCCCCCCCCCC(CC1CCCC1)NCCC
InChIInChI=1S/C20H41N/c1-3-5-6-7-8-9-10-11-16-20(21-17-4-2)18-19-14-12-13-15-19/h19-21H,3-18H2,1-2H3
InChIKeyZBQLLVKVENKWEO-UHFFFAOYSA-N
MW295.56 g/mol
LogP6.47
Rot. Bonds14

About 1-cyclopentyl-N-propyldodecan-2-amine

1-cyclopentyl-N-propyldodecan-2-amine (PubChem CID 115845917) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is 1-cyclopentyl-N-propyldodecan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-propyldodecan-2-amine
PubChem CID115845917
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC Name1-cyclopentyl-N-propyldodecan-2-amine
SMILESCCCCCCCCCCC(CC1CCCC1)NCCC
InChIInChI=1S/C20H41N/c1-3-5-6-7-8-9-10-11-16-20(21-17-4-2)18-19-14-12-13-15-19/h19-21H,3-18H2,1-2H3
InChIKeyZBQLLVKVENKWEO-UHFFFAOYSA-N
XLogP6.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.47
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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Related Compounds

1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
1-cyclohexyl-N-ethylheptan-2-amine
CID 115837188
1-cyclopentyl-5-ethoxy-N-propylpentan-2-amine
CID 105139073
1-cyclobutyl-4-cyclopentyl-N-propylbutan-2-amine
CID 115863549
1-cyclopropyl-N-ethyltridecan-2-amine
CID 104986536
1-cyclopentylheptan-2-ylhydrazine
CID 105294676
1-cycloheptyl-5-methyl-N-propylhexan-2-amine
CID 115834105
1-cyclohexyl-N-methylheptan-2-amine
CID 115836969
1-cyclobutyl-N-methylnonan-2-amine
CID 115863864
1-cyclopentyl-N-propylhex-5-en-2-amine
CID 104987521
1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine
CID 105135576
1-cyclopropyloctan-2-ylhydrazine
CID 105254153

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-propyldodecan-2-amine?
The IUPAC name of 1-cyclopentyl-N-propyldodecan-2-amine (CID 115845917) is 1-cyclopentyl-N-propyldodecan-2-amine.
What is the SMILES notation for 1-cyclopentyl-N-propyldodecan-2-amine?
The canonical SMILES for 1-cyclopentyl-N-propyldodecan-2-amine is CCCCCCCCCCC(CC1CCCC1)NCCC.
What is the InChIKey of 1-cyclopentyl-N-propyldodecan-2-amine?
The InChIKey is ZBQLLVKVENKWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-3-5-6-7-8-9-10-11-16-20(21-17-4-2)18-19-14-12-13-15-19/h19-21H,3-18H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-propyldodecan-2-amine?
1-cyclopentyl-N-propyldodecan-2-amine has a molecular weight of 295.56 g/mol, XLogP of 6.47, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-propyldodecan-2-amine is sourced from PubChem (CID 115845917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).