1-(cyclohexylmethoxy)propan-1-amine

C10H21NO — CID 123186405

IUPAC1-(cyclohexylmethoxy)propan-1-amine
SMILESCCC(N)OCC1CCCCC1
InChIInChI=1S/C10H21NO/c1-2-10(11)12-8-9-6-4-3-5-7-9/h9-10H,2-8,11H2,1H3
InChIKeyAHOGNPOOPPPYMO-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.28
Rot. Bonds4

About 1-(cyclohexylmethoxy)propan-1-amine

1-(cyclohexylmethoxy)propan-1-amine (PubChem CID 123186405) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(cyclohexylmethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(cyclohexylmethoxy)propan-1-amine
PubChem CID123186405
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(cyclohexylmethoxy)propan-1-amine
SMILESCCC(N)OCC1CCCCC1
InChIInChI=1S/C10H21NO/c1-2-10(11)12-8-9-6-4-3-5-7-9/h9-10H,2-8,11H2,1H3
InChIKeyAHOGNPOOPPPYMO-UHFFFAOYSA-N
XLogP2.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(cyclohexylmethoxy)propan-1-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

2-(cyclohexylmethoxy)pentan-3-amine
CID 62383892
1-methoxypropoxymethylcyclohexane
CID 20748230
cyclopentylmethyl 2-aminobutanoate
CID 66322645
1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine
CID 62383299
1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine
CID 63460497
2-(cyclopentylmethoxy)butanoic acid
CID 66324485
ethyl 3-(cyclohexylmethoxy)butanoate
CID 115003091
3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-2-amine
CID 66322799
cyclohexylmethyl 2-iodobutanoate
CID 137452878
(2R)-2-(cyclohexylmethoxy)pentan-3-one
CID 163532136
ethoxymethylcyclooctane
CID 70370569
3-(cyclohexylmethoxy)-N-methylheptan-4-amine
CID 55066438

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethoxy)propan-1-amine?
The IUPAC name of 1-(cyclohexylmethoxy)propan-1-amine (CID 123186405) is 1-(cyclohexylmethoxy)propan-1-amine.
What is the SMILES notation for 1-(cyclohexylmethoxy)propan-1-amine?
The canonical SMILES for 1-(cyclohexylmethoxy)propan-1-amine is CCC(N)OCC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethoxy)propan-1-amine?
The InChIKey is AHOGNPOOPPPYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-10(11)12-8-9-6-4-3-5-7-9/h9-10H,2-8,11H2,1H3.
What are the key properties of 1-(cyclohexylmethoxy)propan-1-amine?
1-(cyclohexylmethoxy)propan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethoxy)propan-1-amine is sourced from PubChem (CID 123186405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).