2-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-ol;hydrochloride

C14H29ClN2O — CID 120902061

IUPAC2-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-ol;hydrochloride
SMILESCN(CC1CCCCC1O)CC1(C)CCNC1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-14(7-8-15-10-14)11-16(2)9-12-5-3-4-6-13(12)17;/h12-13,15,17H,3-11H2,1-2H3;1H
InChIKeyXGKIADXQWZESPW-UHFFFAOYSA-N
MW276.85 g/mol
LogP1.89
Rot. Bonds4

About 2-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-ol;hydrochloride

2-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-ol;hydrochloride (PubChem CID 120902061) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is 2-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-ol;hydrochloride
PubChem CID120902061
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC Name2-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-ol;hydrochloride
SMILESCN(CC1CCCCC1O)CC1(C)CCNC1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-14(7-8-15-10-14)11-16(2)9-12-5-3-4-6-13(12)17;/h12-13,15,17H,3-11H2,1-2H3;1H
InChIKeyXGKIADXQWZESPW-UHFFFAOYSA-N
XLogP1.89
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-ol;hydrochloride?
The IUPAC name of 2-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-ol;hydrochloride (CID 120902061) is 2-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 2-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 2-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-ol;hydrochloride is CN(CC1CCCCC1O)CC1(C)CCNC1.Cl.
What is the InChIKey of 2-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-ol;hydrochloride?
The InChIKey is XGKIADXQWZESPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-14(7-8-15-10-14)11-16(2)9-12-5-3-4-6-13(12)17;/h12-13,15,17H,3-11H2,1-2H3;1H.
What are the key properties of 2-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-ol;hydrochloride?
2-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-ol;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 120902061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).