5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpentan-1-ol

C13H23N3O2 — CID 114150970

IUPAC5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpentan-1-ol
SMILESCCOc1nc(NCCCC(C)CO)ccc1N
InChIInChI=1S/C13H23N3O2/c1-3-18-13-11(14)6-7-12(16-13)15-8-4-5-10(2)9-17/h6-7,10,17H,3-5,8-9,14H2,1-2H3,(H,15,16)
InChIKeyNMNUMIAYEZCYJB-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.88
Rot. Bonds8

About 5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpentan-1-ol

5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpentan-1-ol (PubChem CID 114150970) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpentan-1-ol
PubChem CID114150970
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpentan-1-ol
SMILESCCOc1nc(NCCCC(C)CO)ccc1N
InChIInChI=1S/C13H23N3O2/c1-3-18-13-11(14)6-7-12(16-13)15-8-4-5-10(2)9-17/h6-7,10,17H,3-5,8-9,14H2,1-2H3,(H,15,16)
InChIKeyNMNUMIAYEZCYJB-UHFFFAOYSA-N
XLogP1.88
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(5-amino-6-propoxy-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154613
5-[(5-amino-6-ethoxy-2-pyridinyl)amino]pentan-2-ol
CID 114146045
3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol
CID 43261814
6-ethoxy-2-N-(3-methylsulfanylpropyl)pyridine-2,5-diamine
CID 63981193
2-N-(5-methylhexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 115324708
5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]pentan-2-ol
CID 106119798
6-ethoxy-2-N-(2-ethoxyethyl)pyridine-2,5-diamine
CID 43591109
2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine
CID 115324707
2-N-[2-(dimethylamino)ethyl]-6-ethoxypyridine-2,5-diamine
CID 43260939
methyl 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]propanoate
CID 61295169
4-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]butanamide
CID 60863727
2-N-(4-methylpentyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 63004628

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpentan-1-ol (CID 114150970) is 5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpentan-1-ol is CCOc1nc(NCCCC(C)CO)ccc1N.
What is the InChIKey of 5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpentan-1-ol?
The InChIKey is NMNUMIAYEZCYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-18-13-11(14)6-7-12(16-13)15-8-4-5-10(2)9-17/h6-7,10,17H,3-5,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpentan-1-ol?
5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpentan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 1.88, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 114150970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).