3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclobutylamino]propan-1-ol

C14H23N3O — CID 102859672

IUPAC3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclobutylamino]propan-1-ol
SMILESCc1cc(CN)cc(N(CCCO)C2CCC2)n1
InChIInChI=1S/C14H23N3O/c1-11-8-12(10-15)9-14(16-11)17(6-3-7-18)13-4-2-5-13/h8-9,13,18H,2-7,10,15H2,1H3
InChIKeyTVFQYCSGJVIPEB-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.59
Rot. Bonds6

About 3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclobutylamino]propan-1-ol

3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclobutylamino]propan-1-ol (PubChem CID 102859672) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclobutylamino]propan-1-ol
PubChem CID102859672
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclobutylamino]propan-1-ol
SMILESCc1cc(CN)cc(N(CCCO)C2CCC2)n1
InChIInChI=1S/C14H23N3O/c1-11-8-12(10-15)9-14(16-11)17(6-3-7-18)13-4-2-5-13/h8-9,13,18H,2-7,10,15H2,1H3
InChIKeyTVFQYCSGJVIPEB-UHFFFAOYSA-N
XLogP1.59
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclohexylamino]ethanol
CID 114765171
4-(aminomethyl)-N-cyclohexyl-N-ethyl-6-methylpyridin-2-amine
CID 113379299
[2-[cyclopropyl(2-methoxyethyl)amino]-6-methyl-4-pyridinyl]methanol
CID 113378741
N'-cyclohexyl-N'-(2,6-dimethylpyrimidin-4-yl)propane-1,3-diamine
CID 54939100
3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
CID 102859337
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol
CID 102875573
2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767464
3-[cyclobutyl-(5-methyl-2-pyridinyl)amino]propan-1-ol
CID 102846717
3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875552
N'-cyclopentyl-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine
CID 60877562
3-[3-(aminomethyl)-5-bromo-N-cyclobutylanilino]propan-1-ol
CID 102859668
3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol
CID 102875611

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclobutylamino]propan-1-ol (CID 102859672) is 3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclobutylamino]propan-1-ol is Cc1cc(CN)cc(N(CCCO)C2CCC2)n1.
What is the InChIKey of 3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclobutylamino]propan-1-ol?
The InChIKey is TVFQYCSGJVIPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-8-12(10-15)9-14(16-11)17(6-3-7-18)13-4-2-5-13/h8-9,13,18H,2-7,10,15H2,1H3.
What are the key properties of 3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclobutylamino]propan-1-ol?
3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclobutylamino]propan-1-ol has a molecular weight of 249.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102859672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).