5-[(5-amino-3-methyl-2-pyridinyl)amino]pentan-2-ol

C11H19N3O — CID 106119806

IUPAC5-[(5-amino-3-methyl-2-pyridinyl)amino]pentan-2-ol
SMILESCc1cc(N)cnc1NCCCC(C)O
InChIInChI=1S/C11H19N3O/c1-8-6-10(12)7-14-11(8)13-5-3-4-9(2)15/h6-7,9,15H,3-5,12H2,1-2H3,(H,13,14)
InChIKeyICQOASDCOPWTLS-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.55
Rot. Bonds5

About 5-[(5-amino-3-methyl-2-pyridinyl)amino]pentan-2-ol

5-[(5-amino-3-methyl-2-pyridinyl)amino]pentan-2-ol (PubChem CID 106119806) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-[(5-amino-3-methyl-2-pyridinyl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(5-amino-3-methyl-2-pyridinyl)amino]pentan-2-ol
PubChem CID106119806
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-[(5-amino-3-methyl-2-pyridinyl)amino]pentan-2-ol
SMILESCc1cc(N)cnc1NCCCC(C)O
InChIInChI=1S/C11H19N3O/c1-8-6-10(12)7-14-11(8)13-5-3-4-9(2)15/h6-7,9,15H,3-5,12H2,1-2H3,(H,13,14)
InChIKeyICQOASDCOPWTLS-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-N-propylpyridine-2,5-diamine
CID 62478048
3-methyl-2-N-(5,5,5-trifluoropentyl)pyridine-2,5-diamine
CID 113326794
5-[(5-amino-4-methyl-2-pyridinyl)amino]pentan-2-ol
CID 106119726
5-[(5-amino-2-pyridinyl)amino]pentan-2-ol
CID 106119738
N-[4-[(5-amino-3-methyl-2-pyridinyl)amino]butyl]-2,2,2-trifluoroacetamide
CID 82331534
2-[(5-amino-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106333992
4-[(3-amino-5-methyl-2-pyridinyl)amino]butan-2-ol
CID 66278456
2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylpyridine-2,5-diamine
CID 114536155
1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine
CID 106127370
2-N-(2-ethylhexyl)-3-methylpyridine-2,5-diamine
CID 107819841
5-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
CID 107269289
5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide
CID 106119263

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-3-methyl-2-pyridinyl)amino]pentan-2-ol?
The IUPAC name of 5-[(5-amino-3-methyl-2-pyridinyl)amino]pentan-2-ol (CID 106119806) is 5-[(5-amino-3-methyl-2-pyridinyl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(5-amino-3-methyl-2-pyridinyl)amino]pentan-2-ol?
The canonical SMILES for 5-[(5-amino-3-methyl-2-pyridinyl)amino]pentan-2-ol is Cc1cc(N)cnc1NCCCC(C)O.
What is the InChIKey of 5-[(5-amino-3-methyl-2-pyridinyl)amino]pentan-2-ol?
The InChIKey is ICQOASDCOPWTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-6-10(12)7-14-11(8)13-5-3-4-9(2)15/h6-7,9,15H,3-5,12H2,1-2H3,(H,13,14).
What are the key properties of 5-[(5-amino-3-methyl-2-pyridinyl)amino]pentan-2-ol?
5-[(5-amino-3-methyl-2-pyridinyl)amino]pentan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-3-methyl-2-pyridinyl)amino]pentan-2-ol is sourced from PubChem (CID 106119806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).