cis-(1R,2S)-N-methyl-2-pyrrolidin-1-ylcyclohexan-1-amine

C11H22N2 — CID 13377466

IUPACcis-(1R,2S)-N-methyl-2-pyrrolidin-1-ylcyclohexan-1-amine
SMILESCN[C@@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C11H22N2/c1-12-10-6-2-3-7-11(10)13-8-4-5-9-13/h10-12H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyMFOLKXSQEXMDIR-MNOVXSKESA-N
MW182.31 g/mol
LogP1.61
Rot. Bonds2

About cis-(1R,2S)-N-methyl-2-pyrrolidin-1-ylcyclohexan-1-amine

cis-(1R,2S)-N-methyl-2-pyrrolidin-1-ylcyclohexan-1-amine (PubChem CID 13377466) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is cis-(1R,2S)-N-methyl-2-pyrrolidin-1-ylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-N-methyl-2-pyrrolidin-1-ylcyclohexan-1-amine
PubChem CID13377466
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Namecis-(1R,2S)-N-methyl-2-pyrrolidin-1-ylcyclohexan-1-amine
SMILESCN[C@@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C11H22N2/c1-12-10-6-2-3-7-11(10)13-8-4-5-9-13/h10-12H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyMFOLKXSQEXMDIR-MNOVXSKESA-N
XLogP1.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-methyl-2-pyrrolidin-1-ylcyclohexan-1-amine?
The IUPAC name of cis-(1R,2S)-N-methyl-2-pyrrolidin-1-ylcyclohexan-1-amine (CID 13377466) is cis-(1R,2S)-N-methyl-2-pyrrolidin-1-ylcyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2S)-N-methyl-2-pyrrolidin-1-ylcyclohexan-1-amine?
The canonical SMILES for cis-(1R,2S)-N-methyl-2-pyrrolidin-1-ylcyclohexan-1-amine is CN[C@@H]1CCCC[C@@H]1N1CCCC1.
What is the InChIKey of cis-(1R,2S)-N-methyl-2-pyrrolidin-1-ylcyclohexan-1-amine?
The InChIKey is MFOLKXSQEXMDIR-MNOVXSKESA-N. The full InChI is InChI=1S/C11H22N2/c1-12-10-6-2-3-7-11(10)13-8-4-5-9-13/h10-12H,2-9H2,1H3/t10-,11+/m1/s1.
What are the key properties of cis-(1R,2S)-N-methyl-2-pyrrolidin-1-ylcyclohexan-1-amine?
cis-(1R,2S)-N-methyl-2-pyrrolidin-1-ylcyclohexan-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-methyl-2-pyrrolidin-1-ylcyclohexan-1-amine is sourced from PubChem (CID 13377466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).