1-(2-methylpropylamino)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol

C14H25N3O — CID 115474925

IUPAC1-(2-methylpropylamino)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol
SMILESCC(C)CNCC(O)CN(C)Cc1cccnc1
InChIInChI=1S/C14H25N3O/c1-12(2)7-16-9-14(18)11-17(3)10-13-5-4-6-15-8-13/h4-6,8,12,14,16,18H,7,9-11H2,1-3H3
InChIKeyQBOAXJGEHZHWTR-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.12
Rot. Bonds8

About 1-(2-methylpropylamino)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol

1-(2-methylpropylamino)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol (PubChem CID 115474925) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(2-methylpropylamino)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylpropylamino)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol
PubChem CID115474925
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-(2-methylpropylamino)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol
SMILESCC(C)CNCC(O)CN(C)Cc1cccnc1
InChIInChI=1S/C14H25N3O/c1-12(2)7-16-9-14(18)11-17(3)10-13-5-4-6-15-8-13/h4-6,8,12,14,16,18H,7,9-11H2,1-3H3
InChIKeyQBOAXJGEHZHWTR-UHFFFAOYSA-N
XLogP1.12
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 62432321
4-hydroxy-5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 115122746
1-N,2-N-dimethyl-1-N-(pyridin-3-ylmethyl)pentane-1,2-diamine
CID 62043801
methyl (2S)-2-methyl-3-[methyl(pyridin-3-ylmethyl)amino]propanoate
CID 93035101
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505
N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62256998
N-cyclopropyl-N',2-dimethyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62433595
3-N-methyl-3-N-(pyridin-3-ylmethyl)propane-1,2,3-triamine
CID 115119904
1-(dimethylamino)-3-pyridin-3-ylpropan-2-ol
CID 104736153
2,6-dimethyl-4-[1-[methyl(pyridin-3-ylmethyl)amino]propan-2-yl]phenol
CID 59073565
2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine
CID 55247242
1-[(2-fluorophenyl)methoxy]-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol
CID 110877328

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylamino)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-(2-methylpropylamino)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol (CID 115474925) is 1-(2-methylpropylamino)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-methylpropylamino)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-(2-methylpropylamino)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol is CC(C)CNCC(O)CN(C)Cc1cccnc1.
What is the InChIKey of 1-(2-methylpropylamino)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol?
The InChIKey is QBOAXJGEHZHWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-12(2)7-16-9-14(18)11-17(3)10-13-5-4-6-15-8-13/h4-6,8,12,14,16,18H,7,9-11H2,1-3H3.
What are the key properties of 1-(2-methylpropylamino)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol?
1-(2-methylpropylamino)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylamino)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 115474925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).