2,2-dimethyl-5-(pyridin-3-ylamino)pentan-1-ol

C12H20N2O — CID 101399948

IUPAC2,2-dimethyl-5-(pyridin-3-ylamino)pentan-1-ol
SMILESCC(C)(CO)CCCNc1cccnc1
InChIInChI=1S/C12H20N2O/c1-12(2,10-15)6-4-8-14-11-5-3-7-13-9-11/h3,5,7,9,14-15H,4,6,8,10H2,1-2H3
InChIKeyVRNAEJIDZBRIHF-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.29
Rot. Bonds6

About 2,2-dimethyl-5-(pyridin-3-ylamino)pentan-1-ol

2,2-dimethyl-5-(pyridin-3-ylamino)pentan-1-ol (PubChem CID 101399948) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2,2-dimethyl-5-(pyridin-3-ylamino)pentan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-5-(pyridin-3-ylamino)pentan-1-ol
PubChem CID101399948
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2,2-dimethyl-5-(pyridin-3-ylamino)pentan-1-ol
SMILESCC(C)(CO)CCCNc1cccnc1
InChIInChI=1S/C12H20N2O/c1-12(2,10-15)6-4-8-14-11-5-3-7-13-9-11/h3,5,7,9,14-15H,4,6,8,10H2,1-2H3
InChIKeyVRNAEJIDZBRIHF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethanol, 2-((2-pyridinylmethyl)amino)-
CID 81135
Nsc65650
CID 248485
3-((3-Pyridylmethyl)amino)propanol
CID 81390
N-Butyl-3-pyridinamine
CID 22322612
N-(2,2-dimethylpropyl)pyridin-3-amine
CID 54594222
2-((3-Aminopyridin-4-yl)amino)ethan-1-ol
CID 1870972
1-(1-Hydroxy-3,3-dimethylbutan-2-yl)-3-pyridin-3-ylthiourea
CID 15665744
3-Pyridinecarbamic acid, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester), monohydrochloride
CID 212919
2-{[(Pyridin-2-yl)methyl]amino}butan-1-ol
CID 4712765
N-propylpyridin-3-amine
CID 22398676
(5-Aminopyridin-3-yl)methanol
CID 29921874
(1-(Pyridin-3-yl)piperidin-4-yl)methanol
CID 71721210

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(pyridin-3-ylamino)pentan-1-ol?
The IUPAC name of 2,2-dimethyl-5-(pyridin-3-ylamino)pentan-1-ol (CID 101399948) is 2,2-dimethyl-5-(pyridin-3-ylamino)pentan-1-ol.
What is the SMILES notation for 2,2-dimethyl-5-(pyridin-3-ylamino)pentan-1-ol?
The canonical SMILES for 2,2-dimethyl-5-(pyridin-3-ylamino)pentan-1-ol is CC(C)(CO)CCCNc1cccnc1.
What is the InChIKey of 2,2-dimethyl-5-(pyridin-3-ylamino)pentan-1-ol?
The InChIKey is VRNAEJIDZBRIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(2,10-15)6-4-8-14-11-5-3-7-13-9-11/h3,5,7,9,14-15H,4,6,8,10H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-(pyridin-3-ylamino)pentan-1-ol?
2,2-dimethyl-5-(pyridin-3-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 2,2-dimethyl-5-(pyridin-3-ylamino)pentan-1-ol is sourced from PubChem (CID 101399948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).