1-[(1S)-2-(methyliminomethyl)cyclohexyl]pyrrolidin-3-ol

C12H22N2O — CID 134459133

IUPAC1-[(1S)-2-(methyliminomethyl)cyclohexyl]pyrrolidin-3-ol
SMILESC/N=C/C1CCCC[C@@H]1N1CCC(O)C1
InChIInChI=1S/C12H22N2O/c1-13-8-10-4-2-3-5-12(10)14-7-6-11(15)9-14/h8,10-12,15H,2-7,9H2,1H3/b13-8+/t10?,11?,12-/m0/s1
InChIKeyQIGBSBRSUVQVBZ-VBYIWTASSA-N
MW210.32 g/mol
LogP1.31
Rot. Bonds2

About 1-[(1S)-2-(methyliminomethyl)cyclohexyl]pyrrolidin-3-ol

1-[(1S)-2-(methyliminomethyl)cyclohexyl]pyrrolidin-3-ol (PubChem CID 134459133) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[(1S)-2-(methyliminomethyl)cyclohexyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(1S)-2-(methyliminomethyl)cyclohexyl]pyrrolidin-3-ol
PubChem CID134459133
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-[(1S)-2-(methyliminomethyl)cyclohexyl]pyrrolidin-3-ol
SMILESC/N=C/C1CCCC[C@@H]1N1CCC(O)C1
InChIInChI=1S/C12H22N2O/c1-13-8-10-4-2-3-5-12(10)14-7-6-11(15)9-14/h8,10-12,15H,2-7,9H2,1H3/b13-8+/t10?,11?,12-/m0/s1
InChIKeyQIGBSBRSUVQVBZ-VBYIWTASSA-N
XLogP1.31
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-(methyliminomethyl)cyclohexyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(1S)-2-(methyliminomethyl)cyclohexyl]pyrrolidin-3-ol (CID 134459133) is 1-[(1S)-2-(methyliminomethyl)cyclohexyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(1S)-2-(methyliminomethyl)cyclohexyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(1S)-2-(methyliminomethyl)cyclohexyl]pyrrolidin-3-ol is C/N=C/C1CCCC[C@@H]1N1CCC(O)C1.
What is the InChIKey of 1-[(1S)-2-(methyliminomethyl)cyclohexyl]pyrrolidin-3-ol?
The InChIKey is QIGBSBRSUVQVBZ-VBYIWTASSA-N. The full InChI is InChI=1S/C12H22N2O/c1-13-8-10-4-2-3-5-12(10)14-7-6-11(15)9-14/h8,10-12,15H,2-7,9H2,1H3/b13-8+/t10?,11?,12-/m0/s1.
What are the key properties of 1-[(1S)-2-(methyliminomethyl)cyclohexyl]pyrrolidin-3-ol?
1-[(1S)-2-(methyliminomethyl)cyclohexyl]pyrrolidin-3-ol has a molecular weight of 210.32 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-(methyliminomethyl)cyclohexyl]pyrrolidin-3-ol is sourced from PubChem (CID 134459133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).