(1S)-1-cyclohexyl-N-methyl-2-pyrrolidin-1-ylethanamine

C13H26N2 — CID 51614749

IUPAC(1S)-1-cyclohexyl-N-methyl-2-pyrrolidin-1-ylethanamine
SMILESCN[C@H](CN1CCCC1)C1CCCCC1
InChIInChI=1S/C13H26N2/c1-14-13(11-15-9-5-6-10-15)12-7-3-2-4-8-12/h12-14H,2-11H2,1H3/t13-/m1/s1
InChIKeyQHVKQGXQHOCVNK-CYBMUJFWSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds4

About (1S)-1-cyclohexyl-N-methyl-2-pyrrolidin-1-ylethanamine

(1S)-1-cyclohexyl-N-methyl-2-pyrrolidin-1-ylethanamine (PubChem CID 51614749) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-methyl-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-methyl-2-pyrrolidin-1-ylethanamine
PubChem CID51614749
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name(1S)-1-cyclohexyl-N-methyl-2-pyrrolidin-1-ylethanamine
SMILESCN[C@H](CN1CCCC1)C1CCCCC1
InChIInChI=1S/C13H26N2/c1-14-13(11-15-9-5-6-10-15)12-7-3-2-4-8-12/h12-14H,2-11H2,1H3/t13-/m1/s1
InChIKeyQHVKQGXQHOCVNK-CYBMUJFWSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-cyclohexyl-N-methyl-2-pyrrolidin-1-ylethanamine 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 (1S)-1-cyclohexyl-N-methyl-2-pyrrolidin-1-ylethanamine?
The IUPAC name of (1S)-1-cyclohexyl-N-methyl-2-pyrrolidin-1-ylethanamine (CID 51614749) is (1S)-1-cyclohexyl-N-methyl-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-methyl-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for (1S)-1-cyclohexyl-N-methyl-2-pyrrolidin-1-ylethanamine is CN[C@H](CN1CCCC1)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-N-methyl-2-pyrrolidin-1-ylethanamine?
The InChIKey is QHVKQGXQHOCVNK-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H26N2/c1-14-13(11-15-9-5-6-10-15)12-7-3-2-4-8-12/h12-14H,2-11H2,1H3/t13-/m1/s1.
What are the key properties of (1S)-1-cyclohexyl-N-methyl-2-pyrrolidin-1-ylethanamine?
(1S)-1-cyclohexyl-N-methyl-2-pyrrolidin-1-ylethanamine has a molecular weight of 210.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N-methyl-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 51614749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).