3-[cyclobutyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol

C14H22N2O — CID 102848805

IUPAC3-[cyclobutyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol
SMILESCc1cccc(CN(CCCO)C2CCC2)n1
InChIInChI=1S/C14H22N2O/c1-12-5-2-6-13(15-12)11-16(9-4-10-17)14-7-3-8-14/h2,5-6,14,17H,3-4,7-11H2,1H3
InChIKeyPADYLRCCTKFLLN-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.13
Rot. Bonds6

About 3-[cyclobutyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol

3-[cyclobutyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol (PubChem CID 102848805) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[cyclobutyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol
PubChem CID102848805
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-[cyclobutyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol
SMILESCc1cccc(CN(CCCO)C2CCC2)n1
InChIInChI=1S/C14H22N2O/c1-12-5-2-6-13(15-12)11-16(9-4-10-17)14-7-3-8-14/h2,5-6,14,17H,3-4,7-11H2,1H3
InChIKeyPADYLRCCTKFLLN-UHFFFAOYSA-N
XLogP2.13
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 79260720
3-[cyclopropyl-[(6-methyl-2-pyridinyl)methyl]amino]propanoic acid
CID 79260864
3-[cyclopropyl-[(6-methyl-2-pyridinyl)methyl]amino]propanethioamide
CID 79266921
2-[cyclobutyl-[(6-methoxy-2-pyridinyl)methyl]amino]ethanol
CID 102676529
3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol
CID 102848366
6-[[cyclobutyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbohydrazide
CID 106909404
4-(6-methyl-2-pyridinyl)butan-1-ol
CID 20689309
3-[[4-(aminomethyl)-2-methylphenyl]methyl-cyclobutylamino]propan-1-ol
CID 102860571
6-[[butyl(cyclopropyl)amino]methyl]pyridine-2-carboxylic acid
CID 106904048
3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol
CID 103892705
2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]ethanol
CID 79261151
2-[(6-methyl-2-pyridinyl)methyl-propylamino]ethanol
CID 78996621

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol (CID 102848805) is 3-[cyclobutyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol is Cc1cccc(CN(CCCO)C2CCC2)n1.
What is the InChIKey of 3-[cyclobutyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol?
The InChIKey is PADYLRCCTKFLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12-5-2-6-13(15-12)11-16(9-4-10-17)14-7-3-8-14/h2,5-6,14,17H,3-4,7-11H2,1H3.
What are the key properties of 3-[cyclobutyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol?
3-[cyclobutyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol is sourced from PubChem (CID 102848805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).