[(2S)-1-cyclohexylpyrrolidin-2-yl]methanamine

C11H22N2 — CID 59362141

IUPAC[(2S)-1-cyclohexylpyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1CCCN1C1CCCCC1
InChIInChI=1S/C11H22N2/c12-9-11-7-4-8-13(11)10-5-2-1-3-6-10/h10-11H,1-9,12H2/t11-/m0/s1
InChIKeyFWZCSDNSXJJNLH-NSHDSACASA-N
MW182.31 g/mol
LogP1.74
Rot. Bonds2

About [(2S)-1-cyclohexylpyrrolidin-2-yl]methanamine

[(2S)-1-cyclohexylpyrrolidin-2-yl]methanamine (PubChem CID 59362141) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is [(2S)-1-cyclohexylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-1-cyclohexylpyrrolidin-2-yl]methanamine
PubChem CID59362141
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name[(2S)-1-cyclohexylpyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1CCCN1C1CCCCC1
InChIInChI=1S/C11H22N2/c12-9-11-7-4-8-13(11)10-5-2-1-3-6-10/h10-11H,1-9,12H2/t11-/m0/s1
InChIKeyFWZCSDNSXJJNLH-NSHDSACASA-N
XLogP1.74
TPSA29.26 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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-cyclohexylpyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S)-1-cyclohexylpyrrolidin-2-yl]methanamine (CID 59362141) is [(2S)-1-cyclohexylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S)-1-cyclohexylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S)-1-cyclohexylpyrrolidin-2-yl]methanamine is NC[C@@H]1CCCN1C1CCCCC1.
What is the InChIKey of [(2S)-1-cyclohexylpyrrolidin-2-yl]methanamine?
The InChIKey is FWZCSDNSXJJNLH-NSHDSACASA-N. The full InChI is InChI=1S/C11H22N2/c12-9-11-7-4-8-13(11)10-5-2-1-3-6-10/h10-11H,1-9,12H2/t11-/m0/s1.
What are the key properties of [(2S)-1-cyclohexylpyrrolidin-2-yl]methanamine?
[(2S)-1-cyclohexylpyrrolidin-2-yl]methanamine has a molecular weight of 182.31 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-cyclohexylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 59362141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).