3-[cyclobutyl-(5-methyl-2-pyridinyl)amino]propan-1-ol

C13H20N2O — CID 102846717

IUPAC3-[cyclobutyl-(5-methyl-2-pyridinyl)amino]propan-1-ol
SMILESCc1ccc(N(CCCO)C2CCC2)nc1
InChIInChI=1S/C13H20N2O/c1-11-6-7-13(14-10-11)15(8-3-9-16)12-4-2-5-12/h6-7,10,12,16H,2-5,8-9H2,1H3
InChIKeyGAWWZEPOSUKWEL-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.13
Rot. Bonds5

About 3-[cyclobutyl-(5-methyl-2-pyridinyl)amino]propan-1-ol

3-[cyclobutyl-(5-methyl-2-pyridinyl)amino]propan-1-ol (PubChem CID 102846717) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[cyclobutyl-(5-methyl-2-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-(5-methyl-2-pyridinyl)amino]propan-1-ol
PubChem CID102846717
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-[cyclobutyl-(5-methyl-2-pyridinyl)amino]propan-1-ol
SMILESCc1ccc(N(CCCO)C2CCC2)nc1
InChIInChI=1S/C13H20N2O/c1-11-6-7-13(14-10-11)15(8-3-9-16)12-4-2-5-12/h6-7,10,12,16H,2-5,8-9H2,1H3
InChIKeyGAWWZEPOSUKWEL-UHFFFAOYSA-N
XLogP2.13
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloropropyl)-N-cyclobutyl-5-methylpyridin-2-amine
CID 102871477
2-[cyclopropyl-(5-methyl-2-pyridinyl)amino]ethanol
CID 61146522
N-(2-chloroethyl)-N-cyclopentyl-5-methylpyridin-2-amine
CID 63388501
3-[cyclobutyl-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol
CID 102864183
6-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carbaldehyde
CID 102863594
N-(2-chloroethyl)-N-cyclohexyl-5-methylpyridin-2-amine
CID 63388277
3-[cyclobutyl-[5-(ethylaminomethyl)-2-pyridinyl]amino]propan-1-ol
CID 102864700
3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
CID 102859337
4-N-(5-methyl-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112114
2-[cyclopentyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 54994646
3-[cyclobutyl(quinoxalin-2-yl)amino]propan-1-ol
CID 102846714
3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclobutylamino]propan-1-ol
CID 102859672

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-(5-methyl-2-pyridinyl)amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-(5-methyl-2-pyridinyl)amino]propan-1-ol (CID 102846717) is 3-[cyclobutyl-(5-methyl-2-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-(5-methyl-2-pyridinyl)amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-(5-methyl-2-pyridinyl)amino]propan-1-ol is Cc1ccc(N(CCCO)C2CCC2)nc1.
What is the InChIKey of 3-[cyclobutyl-(5-methyl-2-pyridinyl)amino]propan-1-ol?
The InChIKey is GAWWZEPOSUKWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-6-7-13(14-10-11)15(8-3-9-16)12-4-2-5-12/h6-7,10,12,16H,2-5,8-9H2,1H3.
What are the key properties of 3-[cyclobutyl-(5-methyl-2-pyridinyl)amino]propan-1-ol?
3-[cyclobutyl-(5-methyl-2-pyridinyl)amino]propan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-(5-methyl-2-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 102846717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).