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

C11H18N2O — CID 81401299

IUPAC1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol
SMILESCCC(O)CN[C@@H](C)c1ccccn1
InChIInChI=1S/C11H18N2O/c1-3-10(14)8-13-9(2)11-6-4-5-7-12-11/h4-7,9-10,13-14H,3,8H2,1-2H3/t9-,10?/m0/s1
InChIKeyAQCFATORVVQDQJ-RGURZIINSA-N
MW194.28 g/mol
LogP1.50
Rot. Bonds5

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

1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol (PubChem CID 81401299) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol.

Molecular Properties

Compound Name1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol
PubChem CID81401299
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol
SMILESCCC(O)CN[C@@H](C)c1ccccn1
InChIInChI=1S/C11H18N2O/c1-3-10(14)8-13-9(2)11-6-4-5-7-12-11/h4-7,9-10,13-14H,3,8H2,1-2H3/t9-,10?/m0/s1
InChIKeyAQCFATORVVQDQJ-RGURZIINSA-N
XLogP1.50
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
2-ethyl-N-[(1R)-1-pyridin-2-ylethyl]butan-1-amine
CID 28647872
1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81402245
1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81407338
1-(2-propan-2-yloxyethoxy)-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81401996
1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81391897
1-phenyl-2-(1-pyridin-2-ylethylamino)ethanol
CID 43394637
1-phenyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81407252
1-(4-fluorophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol
CID 81401380
1-cyclopropyl-2-(1-pyridin-2-ylethylamino)ethanol
CID 63294348
2-ethyl-N-[(1R)-1-pyridin-2-ylethyl]hexan-1-amine
CID 81407759
1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81406911

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol?
The IUPAC name of 1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol (CID 81401299) is 1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol.
What is the SMILES notation for 1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol?
The canonical SMILES for 1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol is CCC(O)CN[C@@H](C)c1ccccn1.
What is the InChIKey of 1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol?
The InChIKey is AQCFATORVVQDQJ-RGURZIINSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-10(14)8-13-9(2)11-6-4-5-7-12-11/h4-7,9-10,13-14H,3,8H2,1-2H3/t9-,10?/m0/s1.
What are the key properties of 1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol?
1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol has a molecular weight of 194.28 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol is sourced from PubChem (CID 81401299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).