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

C13H22N2O — CID 106349529

IUPAC4-methyl-3-(2-pyridin-2-ylethylamino)pentan-1-ol
SMILESCC(C)C(CCO)NCCc1ccccn1
InChIInChI=1S/C13H22N2O/c1-11(2)13(7-10-16)15-9-6-12-5-3-4-8-14-12/h3-5,8,11,13,15-16H,6-7,9-10H2,1-2H3
InChIKeyZCJORHANVSESQF-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.62
Rot. Bonds7

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

4-methyl-3-(2-pyridin-2-ylethylamino)pentan-1-ol (PubChem CID 106349529) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-methyl-3-(2-pyridin-2-ylethylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-(2-pyridin-2-ylethylamino)pentan-1-ol
PubChem CID106349529
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-methyl-3-(2-pyridin-2-ylethylamino)pentan-1-ol
SMILESCC(C)C(CCO)NCCc1ccccn1
InChIInChI=1S/C13H22N2O/c1-11(2)13(7-10-16)15-9-6-12-5-3-4-8-14-12/h3-5,8,11,13,15-16H,6-7,9-10H2,1-2H3
InChIKeyZCJORHANVSESQF-UHFFFAOYSA-N
XLogP1.62
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-methyl-1-pyridin-2-ylpentan-3-amine
CID 105078244
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CID 60820074
1-N,1-N-dimethyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 82938712
2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol
CID 65036147
(2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine
CID 97358782
N-(4-hydroxybutan-2-yl)-3-pyridin-2-ylpropanamide
CID 81043461
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 115196859
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 24698631
1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 64629702

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-pyridin-2-ylethylamino)pentan-1-ol?
The IUPAC name of 4-methyl-3-(2-pyridin-2-ylethylamino)pentan-1-ol (CID 106349529) is 4-methyl-3-(2-pyridin-2-ylethylamino)pentan-1-ol.
What is the SMILES notation for 4-methyl-3-(2-pyridin-2-ylethylamino)pentan-1-ol?
The canonical SMILES for 4-methyl-3-(2-pyridin-2-ylethylamino)pentan-1-ol is CC(C)C(CCO)NCCc1ccccn1.
What is the InChIKey of 4-methyl-3-(2-pyridin-2-ylethylamino)pentan-1-ol?
The InChIKey is ZCJORHANVSESQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2)13(7-10-16)15-9-6-12-5-3-4-8-14-12/h3-5,8,11,13,15-16H,6-7,9-10H2,1-2H3.
What are the key properties of 4-methyl-3-(2-pyridin-2-ylethylamino)pentan-1-ol?
4-methyl-3-(2-pyridin-2-ylethylamino)pentan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-pyridin-2-ylethylamino)pentan-1-ol is sourced from PubChem (CID 106349529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).