3,3-dimethyl-4-(2-pyridin-2-ylethylamino)butan-1-ol

C13H22N2O — CID 106146853

IUPAC3,3-dimethyl-4-(2-pyridin-2-ylethylamino)butan-1-ol
SMILESCC(C)(CCO)CNCCc1ccccn1
InChIInChI=1S/C13H22N2O/c1-13(2,7-10-16)11-14-9-6-12-5-3-4-8-15-12/h3-5,8,14,16H,6-7,9-11H2,1-2H3
InChIKeyQDDLTYMNRIDICP-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.62
Rot. Bonds7

About 3,3-dimethyl-4-(2-pyridin-2-ylethylamino)butan-1-ol

3,3-dimethyl-4-(2-pyridin-2-ylethylamino)butan-1-ol (PubChem CID 106146853) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3,3-dimethyl-4-(2-pyridin-2-ylethylamino)butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-(2-pyridin-2-ylethylamino)butan-1-ol
PubChem CID106146853
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3,3-dimethyl-4-(2-pyridin-2-ylethylamino)butan-1-ol
SMILESCC(C)(CCO)CNCCc1ccccn1
InChIInChI=1S/C13H22N2O/c1-13(2,7-10-16)11-14-9-6-12-5-3-4-8-15-12/h3-5,8,14,16H,6-7,9-11H2,1-2H3
InChIKeyQDDLTYMNRIDICP-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

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine
CID 115200835
2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol
CID 65036147
2-[3-(2-pyridin-2-ylethylamino)propoxy]propan-2-ol
CID 134462825
tert-butyl 2-(2-pyridin-2-ylethylamino)acetate
CID 60680814
2-methyl-4-pyridin-2-ylbutan-2-ol
CID 145217393
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
(2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol
CID 61149855
N-(2-tert-butylsulfonylethyl)-2-pyridin-2-ylethanamine
CID 113245480
2-[3-(2-pyridin-2-ylethylamino)propoxy]ethanol
CID 106310050
(3S)-3-amino-3-methyl-4-pyridin-2-ylbutan-1-ol
CID 135132634
N-methyl-2-pyridin-2-ylethanamine;hydroiodide
CID 135260552
2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 101109360

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(2-pyridin-2-ylethylamino)butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-(2-pyridin-2-ylethylamino)butan-1-ol (CID 106146853) is 3,3-dimethyl-4-(2-pyridin-2-ylethylamino)butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-(2-pyridin-2-ylethylamino)butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-(2-pyridin-2-ylethylamino)butan-1-ol is CC(C)(CCO)CNCCc1ccccn1.
What is the InChIKey of 3,3-dimethyl-4-(2-pyridin-2-ylethylamino)butan-1-ol?
The InChIKey is QDDLTYMNRIDICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2,7-10-16)11-14-9-6-12-5-3-4-8-15-12/h3-5,8,14,16H,6-7,9-11H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-(2-pyridin-2-ylethylamino)butan-1-ol?
3,3-dimethyl-4-(2-pyridin-2-ylethylamino)butan-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 3,3-dimethyl-4-(2-pyridin-2-ylethylamino)butan-1-ol is sourced from PubChem (CID 106146853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).