N-butyl-2-methoxycyclohexan-1-amine

C11H23NO — CID 43759385

IUPACN-butyl-2-methoxycyclohexan-1-amine
SMILESCCCCNC1CCCCC1OC
InChIInChI=1S/C11H23NO/c1-3-4-9-12-10-7-5-6-8-11(10)13-2/h10-12H,3-9H2,1-2H3
InChIKeyMCSKHMANTFPMAO-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.33
Rot. Bonds5

About N-butyl-2-methoxycyclohexan-1-amine

N-butyl-2-methoxycyclohexan-1-amine (PubChem CID 43759385) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-butyl-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-butyl-2-methoxycyclohexan-1-amine
PubChem CID43759385
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-butyl-2-methoxycyclohexan-1-amine
SMILESCCCCNC1CCCCC1OC
InChIInChI=1S/C11H23NO/c1-3-4-9-12-10-7-5-6-8-11(10)13-2/h10-12H,3-9H2,1-2H3
InChIKeyMCSKHMANTFPMAO-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-2-methoxycyclohexan-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

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methoxycyclohexan-1-amine?
The IUPAC name of N-butyl-2-methoxycyclohexan-1-amine (CID 43759385) is N-butyl-2-methoxycyclohexan-1-amine.
What is the SMILES notation for N-butyl-2-methoxycyclohexan-1-amine?
The canonical SMILES for N-butyl-2-methoxycyclohexan-1-amine is CCCCNC1CCCCC1OC.
What is the InChIKey of N-butyl-2-methoxycyclohexan-1-amine?
The InChIKey is MCSKHMANTFPMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-4-9-12-10-7-5-6-8-11(10)13-2/h10-12H,3-9H2,1-2H3.
What are the key properties of N-butyl-2-methoxycyclohexan-1-amine?
N-butyl-2-methoxycyclohexan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methoxycyclohexan-1-amine is sourced from PubChem (CID 43759385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).