4,4-dimethyl-5-[(4-methyl-2-pyridinyl)amino]pentan-1-ol

C13H22N2O — CID 103896007

IUPAC4,4-dimethyl-5-[(4-methyl-2-pyridinyl)amino]pentan-1-ol
SMILESCc1ccnc(NCC(C)(C)CCCO)c1
InChIInChI=1S/C13H22N2O/c1-11-5-7-14-12(9-11)15-10-13(2,3)6-4-8-16/h5,7,9,16H,4,6,8,10H2,1-3H3,(H,14,15)
InChIKeyJWVYFUZSZUCFSO-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.60
Rot. Bonds6

About 4,4-dimethyl-5-[(4-methyl-2-pyridinyl)amino]pentan-1-ol

4,4-dimethyl-5-[(4-methyl-2-pyridinyl)amino]pentan-1-ol (PubChem CID 103896007) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4,4-dimethyl-5-[(4-methyl-2-pyridinyl)amino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-[(4-methyl-2-pyridinyl)amino]pentan-1-ol
PubChem CID103896007
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4,4-dimethyl-5-[(4-methyl-2-pyridinyl)amino]pentan-1-ol
SMILESCc1ccnc(NCC(C)(C)CCCO)c1
InChIInChI=1S/C13H22N2O/c1-11-5-7-14-12(9-11)15-10-13(2,3)6-4-8-16/h5,7,9,16H,4,6,8,10H2,1-3H3,(H,14,15)
InChIKeyJWVYFUZSZUCFSO-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-5-(pyridin-2-ylamino)pentan-1-ol
CID 103895878
2,2-difluoro-3-[(4-methyl-2-pyridinyl)amino]propan-1-ol
CID 104858561
2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-4-carboxylic acid
CID 106148732
2-methyl-1-[(4-methyl-2-pyridinyl)amino]butan-2-ol
CID 65110504
4-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
CID 106293621
4,4-dimethyl-5-[(4-methyl-3-nitro-2-pyridinyl)amino]pentan-1-ol
CID 103895848
5-[[6-(ethylamino)pyrazin-2-yl]amino]-4,4-dimethylpentan-1-ol
CID 103895908
4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol
CID 103897567
6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylpyridine-3-carboxylic acid
CID 106148798
4-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136987605
3,3-dimethyl-4-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 106149831
5-[(6-fluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 103895914

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[(4-methyl-2-pyridinyl)amino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-5-[(4-methyl-2-pyridinyl)amino]pentan-1-ol (CID 103896007) is 4,4-dimethyl-5-[(4-methyl-2-pyridinyl)amino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-5-[(4-methyl-2-pyridinyl)amino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-5-[(4-methyl-2-pyridinyl)amino]pentan-1-ol is Cc1ccnc(NCC(C)(C)CCCO)c1.
What is the InChIKey of 4,4-dimethyl-5-[(4-methyl-2-pyridinyl)amino]pentan-1-ol?
The InChIKey is JWVYFUZSZUCFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-5-7-14-12(9-11)15-10-13(2,3)6-4-8-16/h5,7,9,16H,4,6,8,10H2,1-3H3,(H,14,15).
What are the key properties of 4,4-dimethyl-5-[(4-methyl-2-pyridinyl)amino]pentan-1-ol?
4,4-dimethyl-5-[(4-methyl-2-pyridinyl)amino]pentan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[(4-methyl-2-pyridinyl)amino]pentan-1-ol is sourced from PubChem (CID 103896007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).