2-(cyclohexylmethoxy)pentan-3-amine

C12H25NO — CID 62383892

IUPAC2-(cyclohexylmethoxy)pentan-3-amine
SMILESCCC(N)C(C)OCC1CCCCC1
InChIInChI=1S/C12H25NO/c1-3-12(13)10(2)14-9-11-7-5-4-6-8-11/h10-12H,3-9,13H2,1-2H3
InChIKeyOKGCSQYMMMWCOI-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.71
Rot. Bonds5

About 2-(cyclohexylmethoxy)pentan-3-amine

2-(cyclohexylmethoxy)pentan-3-amine (PubChem CID 62383892) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)pentan-3-amine.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)pentan-3-amine
PubChem CID62383892
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(cyclohexylmethoxy)pentan-3-amine
SMILESCCC(N)C(C)OCC1CCCCC1
InChIInChI=1S/C12H25NO/c1-3-12(13)10(2)14-9-11-7-5-4-6-8-11/h10-12H,3-9,13H2,1-2H3
InChIKeyOKGCSQYMMMWCOI-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(cyclohexylmethoxy)pentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclohexylmethoxy)propan-1-amine
CID 123186405
1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine
CID 62383299
1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine
CID 63460497
1-methoxypropoxymethylcyclohexane
CID 20748230
2-cyclohexylpentan-3-amine
CID 79308576
1-(cyclopentylmethoxy)-1-(furan-2-yl)butan-2-amine
CID 66324500
ethyl 3-(cyclohexylmethoxy)butanoate
CID 115003091
(2R)-2-(cyclohexylmethoxy)pentan-3-one
CID 163532136
3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-2-amine
CID 66322799
1-(cyclopentylmethoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 66322795
1-cycloheptyl-3-ethylpentan-2-amine
CID 105014024
2-(cycloheptylmethoxy)-N-methylpropan-1-amine
CID 165349469

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)pentan-3-amine?
The IUPAC name of 2-(cyclohexylmethoxy)pentan-3-amine (CID 62383892) is 2-(cyclohexylmethoxy)pentan-3-amine.
What is the SMILES notation for 2-(cyclohexylmethoxy)pentan-3-amine?
The canonical SMILES for 2-(cyclohexylmethoxy)pentan-3-amine is CCC(N)C(C)OCC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethoxy)pentan-3-amine?
The InChIKey is OKGCSQYMMMWCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-12(13)10(2)14-9-11-7-5-4-6-8-11/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 2-(cyclohexylmethoxy)pentan-3-amine?
2-(cyclohexylmethoxy)pentan-3-amine has a molecular weight of 199.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)pentan-3-amine is sourced from PubChem (CID 62383892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).