2-(aminomethyl)-1-(4-amino-3-pyridinyl)-3-methylbutan-1-ol

C11H19N3O — CID 107443196

IUPAC2-(aminomethyl)-1-(4-amino-3-pyridinyl)-3-methylbutan-1-ol
SMILESCC(C)C(CN)C(O)c1cnccc1N
InChIInChI=1S/C11H19N3O/c1-7(2)8(5-12)11(15)9-6-14-4-3-10(9)13/h3-4,6-8,11,15H,5,12H2,1-2H3,(H2,13,14)
InChIKeyZKIZIKXNEJWSFQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.93
Rot. Bonds4

About 2-(aminomethyl)-1-(4-amino-3-pyridinyl)-3-methylbutan-1-ol

2-(aminomethyl)-1-(4-amino-3-pyridinyl)-3-methylbutan-1-ol (PubChem CID 107443196) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(4-amino-3-pyridinyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(4-amino-3-pyridinyl)-3-methylbutan-1-ol
PubChem CID107443196
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(aminomethyl)-1-(4-amino-3-pyridinyl)-3-methylbutan-1-ol
SMILESCC(C)C(CN)C(O)c1cnccc1N
InChIInChI=1S/C11H19N3O/c1-7(2)8(5-12)11(15)9-6-14-4-3-10(9)13/h3-4,6-8,11,15H,5,12H2,1-2H3,(H2,13,14)
InChIKeyZKIZIKXNEJWSFQ-UHFFFAOYSA-N
XLogP0.93
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-chloro-2-methylpropyl)pyridin-4-amine
CID 130480173
1-(4-amino-3-pyridinyl)-2-methylpropane-1,2-diol
CID 103449093
3-amino-1-(3-amino-4-pyridinyl)propane-1,2-diol
CID 170827517
3-(1-hydrazinylethyl)pyridin-4-amine
CID 105201253
(1R)-2-amino-1-(3-methyl-4-pyridinyl)ethanol
CID 96848687
1-(4-amino-3-pyridinyl)-4-methylsulfanylbutan-1-ol
CID 103090078
1-(4-amino-3-pyridinyl)-4-methoxybutan-1-ol
CID 65092313
1-(4-amino-3-pyridinyl)-2-phenylethanol
CID 54064798
3-amino-1-(3-chloro-4-pyridinyl)-2-methylpropan-1-ol
CID 165445125
1-(4-amino-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-ol
CID 79063613
2-(aminomethyl)-1-(2-bromo-5-fluorophenyl)-3-methylbutan-1-ol
CID 65185842
(2R)-2-amino-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 164658532

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(4-amino-3-pyridinyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(4-amino-3-pyridinyl)-3-methylbutan-1-ol (CID 107443196) is 2-(aminomethyl)-1-(4-amino-3-pyridinyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(4-amino-3-pyridinyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(4-amino-3-pyridinyl)-3-methylbutan-1-ol is CC(C)C(CN)C(O)c1cnccc1N.
What is the InChIKey of 2-(aminomethyl)-1-(4-amino-3-pyridinyl)-3-methylbutan-1-ol?
The InChIKey is ZKIZIKXNEJWSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7(2)8(5-12)11(15)9-6-14-4-3-10(9)13/h3-4,6-8,11,15H,5,12H2,1-2H3,(H2,13,14).
What are the key properties of 2-(aminomethyl)-1-(4-amino-3-pyridinyl)-3-methylbutan-1-ol?
2-(aminomethyl)-1-(4-amino-3-pyridinyl)-3-methylbutan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(4-amino-3-pyridinyl)-3-methylbutan-1-ol is sourced from PubChem (CID 107443196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).