5-[[2-(ethylamino)-4-pyridinyl]amino]-2-methylpentan-1-ol

C13H23N3O — CID 114152288

IUPAC5-[[2-(ethylamino)-4-pyridinyl]amino]-2-methylpentan-1-ol
SMILESCCNc1cc(NCCCC(C)CO)ccn1
InChIInChI=1S/C13H23N3O/c1-3-14-13-9-12(6-8-16-13)15-7-4-5-11(2)10-17/h6,8-9,11,17H,3-5,7,10H2,1-2H3,(H2,14,15,16)
InChIKeyIBJXIZVABWIUQI-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.33
Rot. Bonds8

About 5-[[2-(ethylamino)-4-pyridinyl]amino]-2-methylpentan-1-ol

5-[[2-(ethylamino)-4-pyridinyl]amino]-2-methylpentan-1-ol (PubChem CID 114152288) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-[[2-(ethylamino)-4-pyridinyl]amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[[2-(ethylamino)-4-pyridinyl]amino]-2-methylpentan-1-ol
PubChem CID114152288
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-[[2-(ethylamino)-4-pyridinyl]amino]-2-methylpentan-1-ol
SMILESCCNc1cc(NCCCC(C)CO)ccn1
InChIInChI=1S/C13H23N3O/c1-3-14-13-9-12(6-8-16-13)15-7-4-5-11(2)10-17/h6,8-9,11,17H,3-5,7,10H2,1-2H3,(H2,14,15,16)
InChIKeyIBJXIZVABWIUQI-UHFFFAOYSA-N
XLogP2.33
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.33
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

5-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106163373
4-N-(7-methyloctyl)-2-N-propylpyridine-2,4-diamine
CID 107818927
1-[[2-(ethylamino)-4-pyridinyl]amino]-4-methylpentan-2-ol
CID 107159665
3-[[2-(ethylamino)-4-pyridinyl]amino]-2,2-difluoropropan-1-ol
CID 106179413
2-N-ethyl-4-N-(2-ethylhexyl)pyridine-2,4-diamine
CID 107819048
5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162981
ethyl 3-[[2-(ethylamino)-4-pyridinyl]amino]propanoate
CID 113367744
5-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154628
2-N-ethyl-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-2,4-diamine
CID 114131334
2-[[2-(ethylamino)-4-pyridinyl]-methylamino]propan-1-ol
CID 104557112
2-methyl-3-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol
CID 113484591
3-[[4-(ethylamino)-2-pyridinyl]methylsulfanyl]-2-methylpropan-1-ol
CID 79260088

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(ethylamino)-4-pyridinyl]amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[[2-(ethylamino)-4-pyridinyl]amino]-2-methylpentan-1-ol (CID 114152288) is 5-[[2-(ethylamino)-4-pyridinyl]amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[[2-(ethylamino)-4-pyridinyl]amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[[2-(ethylamino)-4-pyridinyl]amino]-2-methylpentan-1-ol is CCNc1cc(NCCCC(C)CO)ccn1.
What is the InChIKey of 5-[[2-(ethylamino)-4-pyridinyl]amino]-2-methylpentan-1-ol?
The InChIKey is IBJXIZVABWIUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-14-13-9-12(6-8-16-13)15-7-4-5-11(2)10-17/h6,8-9,11,17H,3-5,7,10H2,1-2H3,(H2,14,15,16).
What are the key properties of 5-[[2-(ethylamino)-4-pyridinyl]amino]-2-methylpentan-1-ol?
5-[[2-(ethylamino)-4-pyridinyl]amino]-2-methylpentan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 2.33, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(ethylamino)-4-pyridinyl]amino]-2-methylpentan-1-ol is sourced from PubChem (CID 114152288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).