[1-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclopropyl]methanol

C12H18N2O — CID 50961070

IUPAC[1-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclopropyl]methanol
SMILESCN(Cc1cccnc1)CC1(CO)CC1
InChIInChI=1S/C12H18N2O/c1-14(9-12(10-15)4-5-12)8-11-3-2-6-13-7-11/h2-3,6-7,15H,4-5,8-10H2,1H3
InChIKeyAOZORZXLSUFGDS-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.29
Rot. Bonds5

About [1-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclopropyl]methanol

[1-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclopropyl]methanol (PubChem CID 50961070) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [1-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclopropyl]methanol
PubChem CID50961070
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[1-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclopropyl]methanol
SMILESCN(Cc1cccnc1)CC1(CO)CC1
InChIInChI=1S/C12H18N2O/c1-14(9-12(10-15)4-5-12)8-11-3-2-6-13-7-11/h2-3,6-7,15H,4-5,8-10H2,1H3
InChIKeyAOZORZXLSUFGDS-UHFFFAOYSA-N
XLogP1.29
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclopropyl]methanol (CID 50961070) is [1-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclopropyl]methanol is CN(Cc1cccnc1)CC1(CO)CC1.
What is the InChIKey of [1-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclopropyl]methanol?
The InChIKey is AOZORZXLSUFGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14(9-12(10-15)4-5-12)8-11-3-2-6-13-7-11/h2-3,6-7,15H,4-5,8-10H2,1H3.
What are the key properties of [1-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclopropyl]methanol?
[1-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclopropyl]methanol has a molecular weight of 206.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 50961070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).