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

C13H23N3O — CID 107159665

IUPAC1-[[2-(ethylamino)-4-pyridinyl]amino]-4-methylpentan-2-ol
SMILESCCNc1cc(NCC(O)CC(C)C)ccn1
InChIInChI=1S/C13H23N3O/c1-4-14-13-8-11(5-6-15-13)16-9-12(17)7-10(2)3/h5-6,8,10,12,17H,4,7,9H2,1-3H3,(H2,14,15,16)
InChIKeyUMABRSXXSHIEPJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.33
Rot. Bonds7

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

1-[[2-(ethylamino)-4-pyridinyl]amino]-4-methylpentan-2-ol (PubChem CID 107159665) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[[2-(ethylamino)-4-pyridinyl]amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[2-(ethylamino)-4-pyridinyl]amino]-4-methylpentan-2-ol
PubChem CID107159665
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[[2-(ethylamino)-4-pyridinyl]amino]-4-methylpentan-2-ol
SMILESCCNc1cc(NCC(O)CC(C)C)ccn1
InChIInChI=1S/C13H23N3O/c1-4-14-13-8-11(5-6-15-13)16-9-12(17)7-10(2)3/h5-6,8,10,12,17H,4,7,9H2,1-3H3,(H2,14,15,16)
InChIKeyUMABRSXXSHIEPJ-UHFFFAOYSA-N
XLogP2.33
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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

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Related Compounds

4-methyl-1-(pyridin-4-ylamino)pentan-2-ol
CID 107153295
2-N-ethyl-4-N-(2-ethylhexyl)pyridine-2,4-diamine
CID 107819048
1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-4-methylpentan-2-ol
CID 107159692
5-[[2-(ethylamino)-4-pyridinyl]amino]-2-methylpentan-1-ol
CID 114152288
1,1-difluoro-3-[[2-(propylamino)-4-pyridinyl]amino]propan-2-ol
CID 114094092
1-(3-amino-4-methylanilino)-4-methylpentan-2-ol
CID 107151145
3-[[2-(ethylamino)-4-pyridinyl]amino]-2,2-difluoropropan-1-ol
CID 106179413
methyl 2-[[2-(ethylamino)-4-pyridinyl]amino]-3-methylbutanoate
CID 113367704
2-N-ethyl-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-2,4-diamine
CID 114131334
1-(4-amino-3-propoxyanilino)-4-methylpentan-2-ol
CID 107151168
4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyridine-2,4-diamine
CID 113367858
1-[(3-amino-4-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151118

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)-4-pyridinyl]amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[[2-(ethylamino)-4-pyridinyl]amino]-4-methylpentan-2-ol (CID 107159665) is 1-[[2-(ethylamino)-4-pyridinyl]amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[[2-(ethylamino)-4-pyridinyl]amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[[2-(ethylamino)-4-pyridinyl]amino]-4-methylpentan-2-ol is CCNc1cc(NCC(O)CC(C)C)ccn1.
What is the InChIKey of 1-[[2-(ethylamino)-4-pyridinyl]amino]-4-methylpentan-2-ol?
The InChIKey is UMABRSXXSHIEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-14-13-8-11(5-6-15-13)16-9-12(17)7-10(2)3/h5-6,8,10,12,17H,4,7,9H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-[[2-(ethylamino)-4-pyridinyl]amino]-4-methylpentan-2-ol?
1-[[2-(ethylamino)-4-pyridinyl]amino]-4-methylpentan-2-ol has a molecular weight of 237.35 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethylamino)-4-pyridinyl]amino]-4-methylpentan-2-ol is sourced from PubChem (CID 107159665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).