1-[ethyl-[(1S)-1-pyridin-2-ylethyl]amino]-2-methylpropan-2-ol

C13H22N2O — CID 97329633

IUPAC1-[ethyl-[(1S)-1-pyridin-2-ylethyl]amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)[C@@H](C)c1ccccn1
InChIInChI=1S/C13H22N2O/c1-5-15(10-13(3,4)16)11(2)12-8-6-7-9-14-12/h6-9,11,16H,5,10H2,1-4H3/t11-/m0/s1
InChIKeyAMBUUBMDAMRNRR-NSHDSACASA-N
MW222.33 g/mol
LogP2.24
Rot. Bonds5

About 1-[ethyl-[(1S)-1-pyridin-2-ylethyl]amino]-2-methylpropan-2-ol

1-[ethyl-[(1S)-1-pyridin-2-ylethyl]amino]-2-methylpropan-2-ol (PubChem CID 97329633) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[ethyl-[(1S)-1-pyridin-2-ylethyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[(1S)-1-pyridin-2-ylethyl]amino]-2-methylpropan-2-ol
PubChem CID97329633
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[ethyl-[(1S)-1-pyridin-2-ylethyl]amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)[C@@H](C)c1ccccn1
InChIInChI=1S/C13H22N2O/c1-5-15(10-13(3,4)16)11(2)12-8-6-7-9-14-12/h6-9,11,16H,5,10H2,1-4H3/t11-/m0/s1
InChIKeyAMBUUBMDAMRNRR-NSHDSACASA-N
XLogP2.24
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-methylsulfonylethyl)-1-pyridin-2-ylethanamine
CID 84590033
1-pyridin-2-yl-N,N-bis(1-pyridin-2-ylethyl)ethanamine
CID 15806675
N,N'-bis[(1S)-1-pyridin-2-ylethyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 101339503
2-[tert-butyl(1-pyridin-2-ylethyl)amino]acetic acid
CID 79268256
2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 96555130
2-(3,3,4,4-tetramethylpentan-2-yl)pyridine
CID 146411228
1-(dimethylamino)-2-methyl-3-(1-pyridin-2-ylethylamino)propan-2-ol
CID 103904295
1-[ethyl(propan-2-yl)amino]-2-phenylpropan-2-ol
CID 62374985
3-[methyl(1-pyridin-2-ylethyl)amino]butanoic acid
CID 110838590
2-[methyl-[(1R)-1-pyridin-2-ylethyl]amino]acetic acid
CID 95935067
2-methyl-1-pyridin-2-ylbutan-1-ol
CID 79444533
N,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 163258537

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[(1S)-1-pyridin-2-ylethyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[(1S)-1-pyridin-2-ylethyl]amino]-2-methylpropan-2-ol (CID 97329633) is 1-[ethyl-[(1S)-1-pyridin-2-ylethyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[(1S)-1-pyridin-2-ylethyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[(1S)-1-pyridin-2-ylethyl]amino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)[C@@H](C)c1ccccn1.
What is the InChIKey of 1-[ethyl-[(1S)-1-pyridin-2-ylethyl]amino]-2-methylpropan-2-ol?
The InChIKey is AMBUUBMDAMRNRR-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-15(10-13(3,4)16)11(2)12-8-6-7-9-14-12/h6-9,11,16H,5,10H2,1-4H3/t11-/m0/s1.
What are the key properties of 1-[ethyl-[(1S)-1-pyridin-2-ylethyl]amino]-2-methylpropan-2-ol?
1-[ethyl-[(1S)-1-pyridin-2-ylethyl]amino]-2-methylpropan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[(1S)-1-pyridin-2-ylethyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 97329633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).