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

C14H25N3O — CID 114056940

IUPAC1-[methyl-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol
SMILESCC(C)CNCc1cccnc1N(C)CC(C)O
InChIInChI=1S/C14H25N3O/c1-11(2)8-15-9-13-6-5-7-16-14(13)17(4)10-12(3)18/h5-7,11-12,15,18H,8-10H2,1-4H3
InChIKeyHFPXQJMJUPUKPW-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.64
Rot. Bonds7

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

1-[methyl-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol (PubChem CID 114056940) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[methyl-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol
PubChem CID114056940
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[methyl-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol
SMILESCC(C)CNCc1cccnc1N(C)CC(C)O
InChIInChI=1S/C14H25N3O/c1-11(2)8-15-9-13-6-5-7-16-14(13)17(4)10-12(3)18/h5-7,11-12,15,18H,8-10H2,1-4H3
InChIKeyHFPXQJMJUPUKPW-UHFFFAOYSA-N
XLogP1.64
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62281070
3-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine
CID 62285279
N-(cyclohexylmethyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62287115
N-methyl-N-(4-methylphenyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62282701
3-(ethylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine
CID 107871204
N'-[3-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62282134
N-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294691
N,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62283165
N-methyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-2-amine
CID 62294745
1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 62333548
3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile
CID 62895521
N-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)pyridin-2-amine
CID 62279569

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol?
The IUPAC name of 1-[methyl-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol (CID 114056940) is 1-[methyl-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol.
What is the SMILES notation for 1-[methyl-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol?
The canonical SMILES for 1-[methyl-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol is CC(C)CNCc1cccnc1N(C)CC(C)O.
What is the InChIKey of 1-[methyl-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol?
The InChIKey is HFPXQJMJUPUKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)8-15-9-13-6-5-7-16-14(13)17(4)10-12(3)18/h5-7,11-12,15,18H,8-10H2,1-4H3.
What are the key properties of 1-[methyl-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol?
1-[methyl-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol is sourced from PubChem (CID 114056940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).