2-pentylcyclohexan-1-amine

C11H23N — CID 23132313

IUPAC2-pentylcyclohexan-1-amine
SMILESCCCCCC1CCCCC1N
InChIInChI=1S/C11H23N/c1-2-3-4-7-10-8-5-6-9-11(10)12/h10-11H,2-9,12H2,1H3
InChIKeyDZXQLJVDKZSHLY-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.08
Rot. Bonds4

About 2-pentylcyclohexan-1-amine

2-pentylcyclohexan-1-amine (PubChem CID 23132313) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2-pentylcyclohexan-1-amine.

Molecular Properties

Compound Name2-pentylcyclohexan-1-amine
PubChem CID23132313
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2-pentylcyclohexan-1-amine
SMILESCCCCCC1CCCCC1N
InChIInChI=1S/C11H23N/c1-2-3-4-7-10-8-5-6-9-11(10)12/h10-11H,2-9,12H2,1H3
InChIKeyDZXQLJVDKZSHLY-UHFFFAOYSA-N
XLogP3.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.08
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

2-heptylcyclohexan-1-amine
CID 23132318
2-dodecylcyclohexan-1-amine
CID 63400047
trans-(1S,2R)-2-octylcyclopentan-1-amine
CID 97292499
1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720
1-heptyl-2-pentylcyclopentane
CID 102061725
1-pentyl-2-propylcyclopentane
CID 549948
1-decyl-2-methylcyclohexane
CID 123746851
2-(3-ethoxypropyl)cycloheptan-1-amine
CID 65180588
2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine
CID 62614941
N,N'-bis(2-hexylcyclohexyl)methanediamine
CID 175881846
(2S)-2-[(3-pentylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 143571311

Frequently Asked Questions

What is the IUPAC name of 2-pentylcyclohexan-1-amine?
The IUPAC name of 2-pentylcyclohexan-1-amine (CID 23132313) is 2-pentylcyclohexan-1-amine.
What is the SMILES notation for 2-pentylcyclohexan-1-amine?
The canonical SMILES for 2-pentylcyclohexan-1-amine is CCCCCC1CCCCC1N.
What is the InChIKey of 2-pentylcyclohexan-1-amine?
The InChIKey is DZXQLJVDKZSHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-2-3-4-7-10-8-5-6-9-11(10)12/h10-11H,2-9,12H2,1H3.
What are the key properties of 2-pentylcyclohexan-1-amine?
2-pentylcyclohexan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylcyclohexan-1-amine is sourced from PubChem (CID 23132313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).