3-[(3-amino-4-pyridinyl)amino]-3-methylpentan-1-ol

C11H19N3O — CID 106166860

IUPAC3-[(3-amino-4-pyridinyl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1ccncc1N
InChIInChI=1S/C11H19N3O/c1-3-11(2,5-7-15)14-10-4-6-13-8-9(10)12/h4,6,8,15H,3,5,7,12H2,1-2H3,(H,13,14)
InChIKeyVVEKKJXOVIFVQP-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.63
Rot. Bonds5

About 3-[(3-amino-4-pyridinyl)amino]-3-methylpentan-1-ol

3-[(3-amino-4-pyridinyl)amino]-3-methylpentan-1-ol (PubChem CID 106166860) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[(3-amino-4-pyridinyl)amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(3-amino-4-pyridinyl)amino]-3-methylpentan-1-ol
PubChem CID106166860
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[(3-amino-4-pyridinyl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1ccncc1N
InChIInChI=1S/C11H19N3O/c1-3-11(2,5-7-15)14-10-4-6-13-8-9(10)12/h4,6,8,15H,3,5,7,12H2,1-2H3,(H,13,14)
InChIKeyVVEKKJXOVIFVQP-UHFFFAOYSA-N
XLogP1.63
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(3-chloro-4-pyridinyl)-3-methylpentane-1,3-diamine
CID 106165698
3-(2-amino-5-bromoanilino)-3-methylpentan-1-ol
CID 106167096
3-(2-amino-4-fluoro-5-methylanilino)-3-methylpentan-1-ol
CID 114152904
3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide
CID 97340426
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655
3-[(6-aminopyridazin-3-yl)amino]-3-methylpentan-1-ol
CID 106174456
3-(3-aminoanilino)-3-methylpentan-1-ol
CID 106167043
3-(4-amino-3-ethoxyanilino)-3-methylpentan-1-ol
CID 114152908
3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol
CID 106171523
3-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol
CID 103768344
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-3-sulfonamide
CID 106170160
4-N-(3,3-dimethylbutan-2-yl)pyridine-3,4-diamine
CID 104827419

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-pyridinyl)amino]-3-methylpentan-1-ol?
The IUPAC name of 3-[(3-amino-4-pyridinyl)amino]-3-methylpentan-1-ol (CID 106166860) is 3-[(3-amino-4-pyridinyl)amino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[(3-amino-4-pyridinyl)amino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[(3-amino-4-pyridinyl)amino]-3-methylpentan-1-ol is CCC(C)(CCO)Nc1ccncc1N.
What is the InChIKey of 3-[(3-amino-4-pyridinyl)amino]-3-methylpentan-1-ol?
The InChIKey is VVEKKJXOVIFVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-11(2,5-7-15)14-10-4-6-13-8-9(10)12/h4,6,8,15H,3,5,7,12H2,1-2H3,(H,13,14).
What are the key properties of 3-[(3-amino-4-pyridinyl)amino]-3-methylpentan-1-ol?
3-[(3-amino-4-pyridinyl)amino]-3-methylpentan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-pyridinyl)amino]-3-methylpentan-1-ol is sourced from PubChem (CID 106166860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).