[3-methyl-1-(1H-pyrrol-3-ylmethylamino)cyclohexyl]methanol

C13H22N2O — CID 66410290

IUPAC[3-methyl-1-(1H-pyrrol-3-ylmethylamino)cyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2cc[nH]c2)C1
InChIInChI=1S/C13H22N2O/c1-11-3-2-5-13(7-11,10-16)15-9-12-4-6-14-8-12/h4,6,8,11,14-16H,2-3,5,7,9-10H2,1H3
InChIKeySKWFSLMWTRDPDK-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.05
Rot. Bonds4

About [3-methyl-1-(1H-pyrrol-3-ylmethylamino)cyclohexyl]methanol

[3-methyl-1-(1H-pyrrol-3-ylmethylamino)cyclohexyl]methanol (PubChem CID 66410290) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is [3-methyl-1-(1H-pyrrol-3-ylmethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methyl-1-(1H-pyrrol-3-ylmethylamino)cyclohexyl]methanol
PubChem CID66410290
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name[3-methyl-1-(1H-pyrrol-3-ylmethylamino)cyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2cc[nH]c2)C1
InChIInChI=1S/C13H22N2O/c1-11-3-2-5-13(7-11,10-16)15-9-12-4-6-14-8-12/h4,6,8,11,14-16H,2-3,5,7,9-10H2,1H3
InChIKeySKWFSLMWTRDPDK-UHFFFAOYSA-N
XLogP2.05
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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[3-methyl-1-[(3-methyltriazol-4-yl)methylamino]cyclohexyl]methanol
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[1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol
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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(1H-pyrrol-3-ylmethylamino)cyclohexyl]methanol?
The IUPAC name of [3-methyl-1-(1H-pyrrol-3-ylmethylamino)cyclohexyl]methanol (CID 66410290) is [3-methyl-1-(1H-pyrrol-3-ylmethylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-methyl-1-(1H-pyrrol-3-ylmethylamino)cyclohexyl]methanol?
The canonical SMILES for [3-methyl-1-(1H-pyrrol-3-ylmethylamino)cyclohexyl]methanol is CC1CCCC(CO)(NCc2cc[nH]c2)C1.
What is the InChIKey of [3-methyl-1-(1H-pyrrol-3-ylmethylamino)cyclohexyl]methanol?
The InChIKey is SKWFSLMWTRDPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-3-2-5-13(7-11,10-16)15-9-12-4-6-14-8-12/h4,6,8,11,14-16H,2-3,5,7,9-10H2,1H3.
What are the key properties of [3-methyl-1-(1H-pyrrol-3-ylmethylamino)cyclohexyl]methanol?
[3-methyl-1-(1H-pyrrol-3-ylmethylamino)cyclohexyl]methanol has a molecular weight of 222.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(1H-pyrrol-3-ylmethylamino)cyclohexyl]methanol is sourced from PubChem (CID 66410290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).