3-methyl-1-(1-pyridin-4-ylethylamino)pentan-2-ol

C13H22N2O — CID 115880427

IUPAC3-methyl-1-(1-pyridin-4-ylethylamino)pentan-2-ol
SMILESCCC(C)C(O)CNC(C)c1ccncc1
InChIInChI=1S/C13H22N2O/c1-4-10(2)13(16)9-15-11(3)12-5-7-14-8-6-12/h5-8,10-11,13,15-16H,4,9H2,1-3H3
InChIKeyTYMIUTPUPVHCRJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.14
Rot. Bonds6

About 3-methyl-1-(1-pyridin-4-ylethylamino)pentan-2-ol

3-methyl-1-(1-pyridin-4-ylethylamino)pentan-2-ol (PubChem CID 115880427) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-methyl-1-(1-pyridin-4-ylethylamino)pentan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(1-pyridin-4-ylethylamino)pentan-2-ol
PubChem CID115880427
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-methyl-1-(1-pyridin-4-ylethylamino)pentan-2-ol
SMILESCCC(C)C(O)CNC(C)c1ccncc1
InChIInChI=1S/C13H22N2O/c1-4-10(2)13(16)9-15-11(3)12-5-7-14-8-6-12/h5-8,10-11,13,15-16H,4,9H2,1-3H3
InChIKeyTYMIUTPUPVHCRJ-UHFFFAOYSA-N
XLogP2.14
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol
CID 75444116
2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine
CID 43202297
1-[1-(furan-3-yl)ethylamino]-3-methylpentan-2-ol
CID 115719585
1,1,1-trifluoro-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81410735
1,1,1-trifluoro-3-(1-pyridin-4-ylethylamino)propan-2-ol
CID 63901888
2-N,2-N-dimethyl-1-N-(1-pyridin-4-ylethyl)butane-1,2-diamine
CID 115880420
(1S)-1-phenyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethanol
CID 93032010
3-hydroxy-4-[[(1R)-1-pyridin-4-ylethyl]amino]butanoic acid
CID 103258978
methyl 2-methyl-3-[[(1S)-1-pyridin-4-ylethyl]amino]propanoate
CID 81410031
3-methyl-N-(1-pyridin-4-ylethyl)pentan-2-amine
CID 43202307
1-(4-fluorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethanol
CID 81410736
1-(2-butoxyethoxy)-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81395520

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-pyridin-4-ylethylamino)pentan-2-ol?
The IUPAC name of 3-methyl-1-(1-pyridin-4-ylethylamino)pentan-2-ol (CID 115880427) is 3-methyl-1-(1-pyridin-4-ylethylamino)pentan-2-ol.
What is the SMILES notation for 3-methyl-1-(1-pyridin-4-ylethylamino)pentan-2-ol?
The canonical SMILES for 3-methyl-1-(1-pyridin-4-ylethylamino)pentan-2-ol is CCC(C)C(O)CNC(C)c1ccncc1.
What is the InChIKey of 3-methyl-1-(1-pyridin-4-ylethylamino)pentan-2-ol?
The InChIKey is TYMIUTPUPVHCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-10(2)13(16)9-15-11(3)12-5-7-14-8-6-12/h5-8,10-11,13,15-16H,4,9H2,1-3H3.
What are the key properties of 3-methyl-1-(1-pyridin-4-ylethylamino)pentan-2-ol?
3-methyl-1-(1-pyridin-4-ylethylamino)pentan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-pyridin-4-ylethylamino)pentan-2-ol is sourced from PubChem (CID 115880427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).