[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]methanol

C13H26N2O — CID 112629018

IUPAC[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]methanol
SMILESCNC1CCCCC1CN1CCC(CO)C1
InChIInChI=1S/C13H26N2O/c1-14-13-5-3-2-4-12(13)9-15-7-6-11(8-15)10-16/h11-14,16H,2-10H2,1H3
InChIKeyLTQWBNXYPMBNBU-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.08
Rot. Bonds4

About [1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]methanol

[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]methanol (PubChem CID 112629018) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]methanol
PubChem CID112629018
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]methanol
SMILESCNC1CCCCC1CN1CCC(CO)C1
InChIInChI=1S/C13H26N2O/c1-14-13-5-3-2-4-12(13)9-15-7-6-11(8-15)10-16/h11-14,16H,2-10H2,1H3
InChIKeyLTQWBNXYPMBNBU-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-aminocyclohexyl)methyl]pyrrolidin-3-yl]methanol
CID 112629055
2-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 103538860
1-[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
CID 112629144
2-[(4-ethylpiperidin-1-yl)methyl]-N-methylcyclopentan-1-amine
CID 62609502
N-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 62609782
[1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol
CID 44558451
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-methylcyclopentan-1-amine
CID 62610911
N-methyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine
CID 62973354
N-methyl-2-[(4-methylazepan-1-yl)methyl]cyclopentan-1-amine
CID 63623587
[(1S)-2-(methylamino)cyclopentyl]methanol
CID 123545278
[(1R,2R)-2-aminocyclohexyl]methanol;[(1R,2R)-2-(methylamino)cyclohexyl]methanol
CID 169429799
2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-methylcyclohexan-1-amine
CID 62888860

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]methanol (CID 112629018) is [1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]methanol is CNC1CCCCC1CN1CCC(CO)C1.
What is the InChIKey of [1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]methanol?
The InChIKey is LTQWBNXYPMBNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-14-13-5-3-2-4-12(13)9-15-7-6-11(8-15)10-16/h11-14,16H,2-10H2,1H3.
What are the key properties of [1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]methanol?
[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]methanol has a molecular weight of 226.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112629018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).