4,4-dimethyl-5-(pyridin-2-ylamino)pentan-1-ol

C12H20N2O — CID 103895878

IUPAC4,4-dimethyl-5-(pyridin-2-ylamino)pentan-1-ol
SMILESCC(C)(CCCO)CNc1ccccn1
InChIInChI=1S/C12H20N2O/c1-12(2,7-5-9-15)10-14-11-6-3-4-8-13-11/h3-4,6,8,15H,5,7,9-10H2,1-2H3,(H,13,14)
InChIKeyKRSMTFAHKIMENJ-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.29
Rot. Bonds6

About 4,4-dimethyl-5-(pyridin-2-ylamino)pentan-1-ol

4,4-dimethyl-5-(pyridin-2-ylamino)pentan-1-ol (PubChem CID 103895878) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 4,4-dimethyl-5-(pyridin-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-(pyridin-2-ylamino)pentan-1-ol
PubChem CID103895878
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name4,4-dimethyl-5-(pyridin-2-ylamino)pentan-1-ol
SMILESCC(C)(CCCO)CNc1ccccn1
InChIInChI=1S/C12H20N2O/c1-12(2,7-5-9-15)10-14-11-6-3-4-8-13-11/h3-4,6,8,15H,5,7,9-10H2,1-2H3,(H,13,14)
InChIKeyKRSMTFAHKIMENJ-UHFFFAOYSA-N
XLogP2.29
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-5-[(4-methyl-2-pyridinyl)amino]pentan-1-ol
CID 103896007
5-[(6-fluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 103895914
2-N,2-dimethyl-1-N-pyridin-2-ylpropane-1,2-diamine
CID 115222058
N-(2-methyl-2-phenylpropyl)pyridin-2-amine
CID 60970281
2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid
CID 115136447
5-[(8-aminoquinolin-5-yl)amino]-4,4-dimethylpentan-1-ol
CID 106141173
3,3-dimethyl-N-pyridin-2-ylpentanamide
CID 134494130
2,4-dimethyl-1-(pyridin-2-ylamino)pentan-2-ol
CID 66179990
N-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 106144378
5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 106141224
5-[[6-(ethylamino)pyrazin-2-yl]amino]-4,4-dimethylpentan-1-ol
CID 103895908
N-propylpyridin-2-amine
CID 91192651

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(pyridin-2-ylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-5-(pyridin-2-ylamino)pentan-1-ol (CID 103895878) is 4,4-dimethyl-5-(pyridin-2-ylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-5-(pyridin-2-ylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-5-(pyridin-2-ylamino)pentan-1-ol is CC(C)(CCCO)CNc1ccccn1.
What is the InChIKey of 4,4-dimethyl-5-(pyridin-2-ylamino)pentan-1-ol?
The InChIKey is KRSMTFAHKIMENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(2,7-5-9-15)10-14-11-6-3-4-8-13-11/h3-4,6,8,15H,5,7,9-10H2,1-2H3,(H,13,14).
What are the key properties of 4,4-dimethyl-5-(pyridin-2-ylamino)pentan-1-ol?
4,4-dimethyl-5-(pyridin-2-ylamino)pentan-1-ol has a molecular weight of 208.31 g/mol, XLogP of 2.29, 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-(pyridin-2-ylamino)pentan-1-ol is sourced from PubChem (CID 103895878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).