1-[(2-amino-1-pyridin-3-ylbutyl)-methylamino]propan-2-ol

C13H23N3O — CID 55061112

IUPAC1-[(2-amino-1-pyridin-3-ylbutyl)-methylamino]propan-2-ol
SMILESCCC(N)C(c1cccnc1)N(C)CC(C)O
InChIInChI=1S/C13H23N3O/c1-4-12(14)13(16(3)9-10(2)17)11-6-5-7-15-8-11/h5-8,10,12-13,17H,4,9,14H2,1-3H3
InChIKeyJPKNSGNDSPQVMX-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.17
Rot. Bonds6

About 1-[(2-amino-1-pyridin-3-ylbutyl)-methylamino]propan-2-ol

1-[(2-amino-1-pyridin-3-ylbutyl)-methylamino]propan-2-ol (PubChem CID 55061112) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[(2-amino-1-pyridin-3-ylbutyl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(2-amino-1-pyridin-3-ylbutyl)-methylamino]propan-2-ol
PubChem CID55061112
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[(2-amino-1-pyridin-3-ylbutyl)-methylamino]propan-2-ol
SMILESCCC(N)C(c1cccnc1)N(C)CC(C)O
InChIInChI=1S/C13H23N3O/c1-4-12(14)13(16(3)9-10(2)17)11-6-5-7-15-8-11/h5-8,10,12-13,17H,4,9,14H2,1-3H3
InChIKeyJPKNSGNDSPQVMX-UHFFFAOYSA-N
XLogP1.17
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-3-ylbutane-1,2-diamine
CID 65483700
1-[[2-amino-1-(1-methylpyrazol-4-yl)butyl]-methylamino]propan-2-ol
CID 62333824
1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-3-ylbutane-1,2-diamine
CID 63842261
(1S,2R)-1-amino-1-pyridin-3-ylbutan-2-ol
CID 130710949
1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylpropane-1,2-diamine
CID 112657794
1-N-methyl-1-N-(oxolan-3-yl)-1-pyridin-3-ylbutane-1,2-diamine
CID 82731850
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
2-amino-4-(dimethylamino)-1-pyridin-3-ylbutan-1-ol
CID 83929772
1-N,1-N-bis(3-methylbutyl)-1-pyridin-3-ylpropane-1,2-diamine
CID 107869311
1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-pyridin-3-ylpropane-1,2-diamine
CID 81059160
1-N-methyl-1-N-(1-methylpiperidin-3-yl)-1-pyridin-3-ylbutane-1,2-diamine
CID 62546038
N-methyl-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 143947974

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1-pyridin-3-ylbutyl)-methylamino]propan-2-ol?
The IUPAC name of 1-[(2-amino-1-pyridin-3-ylbutyl)-methylamino]propan-2-ol (CID 55061112) is 1-[(2-amino-1-pyridin-3-ylbutyl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(2-amino-1-pyridin-3-ylbutyl)-methylamino]propan-2-ol?
The canonical SMILES for 1-[(2-amino-1-pyridin-3-ylbutyl)-methylamino]propan-2-ol is CCC(N)C(c1cccnc1)N(C)CC(C)O.
What is the InChIKey of 1-[(2-amino-1-pyridin-3-ylbutyl)-methylamino]propan-2-ol?
The InChIKey is JPKNSGNDSPQVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-12(14)13(16(3)9-10(2)17)11-6-5-7-15-8-11/h5-8,10,12-13,17H,4,9,14H2,1-3H3.
What are the key properties of 1-[(2-amino-1-pyridin-3-ylbutyl)-methylamino]propan-2-ol?
1-[(2-amino-1-pyridin-3-ylbutyl)-methylamino]propan-2-ol has a molecular weight of 237.35 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1-pyridin-3-ylbutyl)-methylamino]propan-2-ol is sourced from PubChem (CID 55061112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).