4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol

C10H17N3O — CID 106846876

IUPAC4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol
SMILESCNc1cncc(NCCCCO)c1
InChIInChI=1S/C10H17N3O/c1-11-9-6-10(8-12-7-9)13-4-2-3-5-14/h6-8,11,13-14H,2-5H2,1H3
InChIKeyGFBPOKIHRDZPDJ-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.31
Rot. Bonds6

About 4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol

4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol (PubChem CID 106846876) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol
PubChem CID106846876
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol
SMILESCNc1cncc(NCCCCO)c1
InChIInChI=1S/C10H17N3O/c1-11-9-6-10(8-12-7-9)13-4-2-3-5-14/h6-8,11,13-14H,2-5H2,1H3
InChIKeyGFBPOKIHRDZPDJ-UHFFFAOYSA-N
XLogP1.31
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.31
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

2-[[5-(methylamino)-3-pyridinyl]amino]ethanol
CID 104532515
2-[3-[[5-(methylamino)-3-pyridinyl]amino]propoxy]ethanol
CID 106311546
5-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol
CID 106138149
5-[(5-bromo-3-pyridinyl)amino]pentan-1-ol
CID 107302585
3-N-methyl-5-N-(3-methylsulfonylpropyl)pyridine-3,5-diamine
CID 104533920
3-N-methyl-5-N-(3-phenylpropyl)pyridine-3,5-diamine
CID 113423751
5-N-(2-ethoxyethyl)-3-N-methylpyridine-3,5-diamine
CID 104533068
3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine
CID 104533155
3-N-methyl-5-N-(2-propan-2-yloxyethyl)pyridine-3,5-diamine
CID 104767059
2-[[5-(methylamino)-3-pyridinyl]amino]ethyl carbamate
CID 104535709
3-N-methyl-5-N-[3-(triazol-1-yl)propyl]pyridine-3,5-diamine
CID 113424266
N-[2-[[5-(methylamino)-3-pyridinyl]amino]ethyl]methanesulfonamide
CID 104532982

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol?
The IUPAC name of 4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol (CID 106846876) is 4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol.
What is the SMILES notation for 4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol?
The canonical SMILES for 4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol is CNc1cncc(NCCCCO)c1.
What is the InChIKey of 4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol?
The InChIKey is GFBPOKIHRDZPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-11-9-6-10(8-12-7-9)13-4-2-3-5-14/h6-8,11,13-14H,2-5H2,1H3.
What are the key properties of 4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol?
4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol is sourced from PubChem (CID 106846876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).