2-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylcyclohexan-1-amine

C13H26N2O — CID 103538860

IUPAC2-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1CN1CCC(OC)C1
InChIInChI=1S/C13H26N2O/c1-14-13-6-4-3-5-11(13)9-15-8-7-12(10-15)16-2/h11-14H,3-10H2,1-2H3
InChIKeyAERKPCUAERATIF-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds4

About 2-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylcyclohexan-1-amine

2-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 103538860) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylcyclohexan-1-amine
PubChem CID103538860
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1CN1CCC(OC)C1
InChIInChI=1S/C13H26N2O/c1-14-13-6-4-3-5-11(13)9-15-8-7-12(10-15)16-2/h11-14H,3-10H2,1-2H3
InChIKeyAERKPCUAERATIF-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylcyclohexan-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

[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]methanol
CID 112629018
N-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 62609782
2-[2-(3-methoxypiperidin-1-yl)ethyl]-N-methylcyclopentan-1-amine
CID 102965677
(3R)-1-(cyclopentylmethyl)-3-methoxypyrrolidine
CID 126986050
2-[(3-methoxypyrrolidin-1-yl)methyl]cyclopentan-1-ol
CID 103539245
1-[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
CID 112629144
N-methyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine
CID 62973354
2-[(4-ethylpiperidin-1-yl)methyl]-N-methylcyclopentan-1-amine
CID 62609502
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-methylcyclopentan-1-amine
CID 62610911
N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclopentan-1-amine
CID 63623587
2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-methylcyclohexan-1-amine
CID 62888860
4-[(3-methoxypyrrolidin-1-yl)methyl]-N-propyloxolan-3-amine
CID 103534665

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylcyclohexan-1-amine (CID 103538860) is 2-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylcyclohexan-1-amine is CNC1CCCCC1CN1CCC(OC)C1.
What is the InChIKey of 2-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is AERKPCUAERATIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-14-13-6-4-3-5-11(13)9-15-8-7-12(10-15)16-2/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylcyclohexan-1-amine?
2-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 103538860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).