N-(3-methoxypropyl)cyclohexanamine

C10H21NO — CID 28674201

IUPACN-(3-methoxypropyl)cyclohexanamine
SMILESCOCCCNC1CCCCC1
InChIInChI=1S/C10H21NO/c1-12-9-5-8-11-10-6-3-2-4-7-10/h10-11H,2-9H2,1H3
InChIKeyGZXHFRKMXHGGAN-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.95
Rot. Bonds5

About N-(3-methoxypropyl)cyclohexanamine

N-(3-methoxypropyl)cyclohexanamine (PubChem CID 28674201) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(3-methoxypropyl)cyclohexanamine.

Molecular Properties

Compound NameN-(3-methoxypropyl)cyclohexanamine
PubChem CID28674201
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(3-methoxypropyl)cyclohexanamine
SMILESCOCCCNC1CCCCC1
InChIInChI=1S/C10H21NO/c1-12-9-5-8-11-10-6-3-2-4-7-10/h10-11H,2-9H2,1H3
InChIKeyGZXHFRKMXHGGAN-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-methoxypropyl)cyclohexanamine 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

N-(2-methoxyethyl)cyclohexanamine
CID 12687399
N-Cyclohexyloxan-4-amine
CID 28694222
N-(3-methoxypropyl)cyclohexanamine hydrochloride
CID 138987566
N-(3-methoxypropyl)cycloheptanamine hydrochloride
CID 138987767
Cyclohexylamino ethanol
CID 20285879
3-(Cyclohexylamino)propan-1-ol
CID 35737
N-(3-Methoxypropyl)pentan-1-amine
CID 14806244
Ethyl 3-(cyclohexylamino)propanimidate
CID 134890835
N-(3-methoxypropyl)cycloheptanamine
CID 28673224
N-[3-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine
CID 66276844
N-[3-(2,2-difluoroethoxy)propyl]cyclohexanamine
CID 82010384
N-[3-(3,3,3-trifluoropropoxy)propyl]cyclohexanamine
CID 82957343

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)cyclohexanamine?
The IUPAC name of N-(3-methoxypropyl)cyclohexanamine (CID 28674201) is N-(3-methoxypropyl)cyclohexanamine.
What is the SMILES notation for N-(3-methoxypropyl)cyclohexanamine?
The canonical SMILES for N-(3-methoxypropyl)cyclohexanamine is COCCCNC1CCCCC1.
What is the InChIKey of N-(3-methoxypropyl)cyclohexanamine?
The InChIKey is GZXHFRKMXHGGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-12-9-5-8-11-10-6-3-2-4-7-10/h10-11H,2-9H2,1H3.
What are the key properties of N-(3-methoxypropyl)cyclohexanamine?
N-(3-methoxypropyl)cyclohexanamine has a molecular weight of 171.28 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)cyclohexanamine is sourced from PubChem (CID 28674201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).