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

C13H21N3O — CID 102875578

IUPAC3-[cyclobutyl-[5-(methylamino)-3-pyridinyl]amino]propan-1-ol
SMILESCNc1cncc(N(CCCO)C2CCC2)c1
InChIInChI=1S/C13H21N3O/c1-14-11-8-13(10-15-9-11)16(6-3-7-17)12-4-2-5-12/h8-10,12,14,17H,2-7H2,1H3
InChIKeyKNBZWCZGTWNZOG-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.86
Rot. Bonds6

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

3-[cyclobutyl-[5-(methylamino)-3-pyridinyl]amino]propan-1-ol (PubChem CID 102875578) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[cyclobutyl-[5-(methylamino)-3-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-[5-(methylamino)-3-pyridinyl]amino]propan-1-ol
PubChem CID102875578
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[cyclobutyl-[5-(methylamino)-3-pyridinyl]amino]propan-1-ol
SMILESCNc1cncc(N(CCCO)C2CCC2)c1
InChIInChI=1S/C13H21N3O/c1-14-11-8-13(10-15-9-11)16(6-3-7-17)12-4-2-5-12/h8-10,12,14,17H,2-7H2,1H3
InChIKeyKNBZWCZGTWNZOG-UHFFFAOYSA-N
XLogP1.86
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[5-(methylamino)-3-pyridinyl]amino]ethanol
CID 104533735
5-N-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)pyridine-3,5-diamine
CID 104535326
2-[2-hydroxyethyl-[5-(methylamino)-3-pyridinyl]amino]ethanol
CID 104533210
3-[N-cyclobutyl-3-(ethylamino)-5-nitroanilino]propan-1-ol
CID 102875541
2-[(5-amino-3-pyridinyl)-cyclohexylamino]ethanol
CID 104533748
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol
CID 102875573
3-[(6-chloropyrazin-2-yl)-cyclobutylamino]propan-1-ol
CID 102846670
2-[cyclopentyl-[2-(methylamino)-4-pyridinyl]amino]ethanol
CID 113367679
2-[(5-bromo-3-pyridinyl)-cyclopropylamino]ethanol
CID 104531645
3-(3-amino-N-cyclobutylanilino)propan-1-ol
CID 102859259
4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol
CID 106846876
2-[cyclohexyl-[6-(methylamino)pyrazin-2-yl]amino]ethanol
CID 80811054

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-[5-(methylamino)-3-pyridinyl]amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-[5-(methylamino)-3-pyridinyl]amino]propan-1-ol (CID 102875578) is 3-[cyclobutyl-[5-(methylamino)-3-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-[5-(methylamino)-3-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-[5-(methylamino)-3-pyridinyl]amino]propan-1-ol is CNc1cncc(N(CCCO)C2CCC2)c1.
What is the InChIKey of 3-[cyclobutyl-[5-(methylamino)-3-pyridinyl]amino]propan-1-ol?
The InChIKey is KNBZWCZGTWNZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-14-11-8-13(10-15-9-11)16(6-3-7-17)12-4-2-5-12/h8-10,12,14,17H,2-7H2,1H3.
What are the key properties of 3-[cyclobutyl-[5-(methylamino)-3-pyridinyl]amino]propan-1-ol?
3-[cyclobutyl-[5-(methylamino)-3-pyridinyl]amino]propan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-[5-(methylamino)-3-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 102875578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).