1-cyclopentylundecan-3-amine

C16H33N — CID 115835660

IUPAC1-cyclopentylundecan-3-amine
SMILESCCCCCCCCC(N)CCC1CCCC1
InChIInChI=1S/C16H33N/c1-2-3-4-5-6-7-12-16(17)14-13-15-10-8-9-11-15/h15-16H,2-14,17H2,1H3
InChIKeyINCCKGZGYUSIJI-UHFFFAOYSA-N
MW239.45 g/mol
LogP5.03
Rot. Bonds10

About 1-cyclopentylundecan-3-amine

1-cyclopentylundecan-3-amine (PubChem CID 115835660) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 1-cyclopentylundecan-3-amine.

Molecular Properties

Compound Name1-cyclopentylundecan-3-amine
PubChem CID115835660
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name1-cyclopentylundecan-3-amine
SMILESCCCCCCCCC(N)CCC1CCCC1
InChIInChI=1S/C16H33N/c1-2-3-4-5-6-7-12-16(17)14-13-15-10-8-9-11-15/h15-16H,2-14,17H2,1H3
InChIKeyINCCKGZGYUSIJI-UHFFFAOYSA-N
XLogP5.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.03
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-cyclohexylhexan-3-amine
CID 43370456
1-cyclopentyldecan-2-amine
CID 115835607
1-cyclopentyl-7-methyloctan-3-amine
CID 105028925
1-cycloheptylheptan-2-amine
CID 115837607
1-cyclopentyldecan-3-ol
CID 115783211
1-cyclohexylundecan-3-ylhydrazine
CID 105294415
1-(oxan-2-yl)nonan-3-amine
CID 115833397
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
tetradecylcyclododecane
CID 169026037

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylundecan-3-amine?
The IUPAC name of 1-cyclopentylundecan-3-amine (CID 115835660) is 1-cyclopentylundecan-3-amine.
What is the SMILES notation for 1-cyclopentylundecan-3-amine?
The canonical SMILES for 1-cyclopentylundecan-3-amine is CCCCCCCCC(N)CCC1CCCC1.
What is the InChIKey of 1-cyclopentylundecan-3-amine?
The InChIKey is INCCKGZGYUSIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-2-3-4-5-6-7-12-16(17)14-13-15-10-8-9-11-15/h15-16H,2-14,17H2,1H3.
What are the key properties of 1-cyclopentylundecan-3-amine?
1-cyclopentylundecan-3-amine has a molecular weight of 239.45 g/mol, XLogP of 5.03, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylundecan-3-amine is sourced from PubChem (CID 115835660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).