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

C14H25N3O2 — CID 106154613

IUPAC5-[(5-amino-6-propoxy-2-pyridinyl)amino]-2-methylpentan-1-ol
SMILESCCCOc1nc(NCCCC(C)CO)ccc1N
InChIInChI=1S/C14H25N3O2/c1-3-9-19-14-12(15)6-7-13(17-14)16-8-4-5-11(2)10-18/h6-7,11,18H,3-5,8-10,15H2,1-2H3,(H,16,17)
InChIKeyCULDMUVCVHBSLJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.27
Rot. Bonds9

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

5-[(5-amino-6-propoxy-2-pyridinyl)amino]-2-methylpentan-1-ol (PubChem CID 106154613) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 5-[(5-amino-6-propoxy-2-pyridinyl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(5-amino-6-propoxy-2-pyridinyl)amino]-2-methylpentan-1-ol
PubChem CID106154613
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name5-[(5-amino-6-propoxy-2-pyridinyl)amino]-2-methylpentan-1-ol
SMILESCCCOc1nc(NCCCC(C)CO)ccc1N
InChIInChI=1S/C14H25N3O2/c1-3-9-19-14-12(15)6-7-13(17-14)16-8-4-5-11(2)10-18/h6-7,11,18H,3-5,8-10,15H2,1-2H3,(H,16,17)
InChIKeyCULDMUVCVHBSLJ-UHFFFAOYSA-N
XLogP2.27
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.27
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-ethoxy-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 114150970
2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine
CID 115324707
2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine
CID 43261174
5-[(5-amino-6-ethoxy-2-pyridinyl)amino]pentan-2-ol
CID 114146045
2-N-[3-(diethylamino)propyl]-6-propoxypyridine-2,5-diamine
CID 43261118
3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol
CID 43261814
2-N-propan-2-yl-6-propoxypyridine-2,5-diamine
CID 43260874
2-N-(5-methylhexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 115324708
1-[(5-amino-6-propoxy-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151147
2-[2-[(5-amino-6-propoxy-2-pyridinyl)amino]ethoxy]acetamide
CID 106234525
2-N-(2-ethylhexyl)-6-propoxypyridine-2,5-diamine
CID 107819858
2-N-heptan-2-yl-6-propoxypyridine-2,5-diamine
CID 63402628

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-6-propoxy-2-pyridinyl)amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(5-amino-6-propoxy-2-pyridinyl)amino]-2-methylpentan-1-ol (CID 106154613) is 5-[(5-amino-6-propoxy-2-pyridinyl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(5-amino-6-propoxy-2-pyridinyl)amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(5-amino-6-propoxy-2-pyridinyl)amino]-2-methylpentan-1-ol is CCCOc1nc(NCCCC(C)CO)ccc1N.
What is the InChIKey of 5-[(5-amino-6-propoxy-2-pyridinyl)amino]-2-methylpentan-1-ol?
The InChIKey is CULDMUVCVHBSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-9-19-14-12(15)6-7-13(17-14)16-8-4-5-11(2)10-18/h6-7,11,18H,3-5,8-10,15H2,1-2H3,(H,16,17).
What are the key properties of 5-[(5-amino-6-propoxy-2-pyridinyl)amino]-2-methylpentan-1-ol?
5-[(5-amino-6-propoxy-2-pyridinyl)amino]-2-methylpentan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.27, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-6-propoxy-2-pyridinyl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 106154613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).