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

C16H27N3O — CID 102870493

IUPAC3-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]propan-1-ol
SMILESCCCNc1ncccc1CN(CCCO)C1CCC1
InChIInChI=1S/C16H27N3O/c1-2-9-17-16-14(6-4-10-18-16)13-19(11-5-12-20)15-7-3-8-15/h4,6,10,15,20H,2-3,5,7-9,11-13H2,1H3,(H,17,18)
InChIKeyYAVWUQKPOIEPCK-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.64
Rot. Bonds9

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

3-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]propan-1-ol (PubChem CID 102870493) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]propan-1-ol
PubChem CID102870493
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]propan-1-ol
SMILESCCCNc1ncccc1CN(CCCO)C1CCC1
InChIInChI=1S/C16H27N3O/c1-2-9-17-16-14(6-4-10-18-16)13-19(11-5-12-20)15-7-3-8-15/h4,6,10,15,20H,2-3,5,7-9,11-13H2,1H3,(H,17,18)
InChIKeyYAVWUQKPOIEPCK-UHFFFAOYSA-N
XLogP2.64
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol
CID 102870532
3-[[cyclohexyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469637
3-[(2-amino-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol
CID 102870514
3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol
CID 102848366
2-[propyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol
CID 62471942
3-[[cyclobutylmethyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 107401430
2-[methyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]cyclohexan-1-ol
CID 102636827
N-[(2-hydrazinyl-3-pyridinyl)methyl]-N-propylcyclopropanamine
CID 62470498
3-[[methyl(oxan-4-yl)amino]methyl]-N-propylpyridin-2-amine
CID 62471186
3-[cyclobutyl-[(2-ethoxyphenyl)methyl]amino]propan-1-ol
CID 102848832
3-[[methyl-(2-methylcyclohexyl)amino]methyl]-N-propylpyridin-2-amine
CID 62464664
3-[[ethyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62471154

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]propan-1-ol (CID 102870493) is 3-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]propan-1-ol is CCCNc1ncccc1CN(CCCO)C1CCC1.
What is the InChIKey of 3-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]propan-1-ol?
The InChIKey is YAVWUQKPOIEPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-2-9-17-16-14(6-4-10-18-16)13-19(11-5-12-20)15-7-3-8-15/h4,6,10,15,20H,2-3,5,7-9,11-13H2,1H3,(H,17,18).
What are the key properties of 3-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]propan-1-ol?
3-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]propan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]propan-1-ol is sourced from PubChem (CID 102870493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).