2-cyclohexylpentan-3-amine

C11H23N — CID 79308576

IUPAC2-cyclohexylpentan-3-amine
SMILESCCC(N)C(C)C1CCCCC1
InChIInChI=1S/C11H23N/c1-3-11(12)9(2)10-7-5-4-6-8-10/h9-11H,3-8,12H2,1-2H3
InChIKeyZJAHOWWQICJLDP-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.94
Rot. Bonds3

About 2-cyclohexylpentan-3-amine

2-cyclohexylpentan-3-amine (PubChem CID 79308576) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2-cyclohexylpentan-3-amine.

Molecular Properties

Compound Name2-cyclohexylpentan-3-amine
PubChem CID79308576
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2-cyclohexylpentan-3-amine
SMILESCCC(N)C(C)C1CCCCC1
InChIInChI=1S/C11H23N/c1-3-11(12)9(2)10-7-5-4-6-8-10/h9-11H,3-8,12H2,1-2H3
InChIKeyZJAHOWWQICJLDP-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexylhex-5-yn-3-amine
CID 18402523
butan-2-ylcyclohexadecane
CID 123713671
[(3R)-3-methylpentan-2-yl]cyclopentane
CID 144516432
butan-2-ylcyclohexane;ethane
CID 143005290
1-N-cycloheptyl-3-methylpentane-1,2-diamine
CID 61150855
3-cyclopropylpentan-2-ylcyclopentane
CID 90913708
butan-2-ylcyclohexane;ethane;propane
CID 143477078
1-cycloheptyl-3-ethylpentan-2-amine
CID 105014024
1-cyclohexyl-3-ethylpentan-1-amine
CID 82920637
propane;propan-2-ylcyclopentane
CID 91615250
2-(cyclohexylmethoxy)pentan-3-amine
CID 62383892
butan-2-ylcyclopentane;ethane
CID 143236269

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpentan-3-amine?
The IUPAC name of 2-cyclohexylpentan-3-amine (CID 79308576) is 2-cyclohexylpentan-3-amine.
What is the SMILES notation for 2-cyclohexylpentan-3-amine?
The canonical SMILES for 2-cyclohexylpentan-3-amine is CCC(N)C(C)C1CCCCC1.
What is the InChIKey of 2-cyclohexylpentan-3-amine?
The InChIKey is ZJAHOWWQICJLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-3-11(12)9(2)10-7-5-4-6-8-10/h9-11H,3-8,12H2,1-2H3.
What are the key properties of 2-cyclohexylpentan-3-amine?
2-cyclohexylpentan-3-amine has a molecular weight of 169.31 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpentan-3-amine is sourced from PubChem (CID 79308576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).