(2S)-2-[3-methylbut-2-enyl(pyridin-3-ylmethyl)amino]butan-1-ol

C15H24N2O — CID 164636404

IUPAC(2S)-2-[3-methylbut-2-enyl(pyridin-3-ylmethyl)amino]butan-1-ol
SMILESCC[C@@H](CO)N(CC=C(C)C)Cc1cccnc1
InChIInChI=1S/C15H24N2O/c1-4-15(12-18)17(9-7-13(2)3)11-14-6-5-8-16-10-14/h5-8,10,15,18H,4,9,11-12H2,1-3H3/t15-/m0/s1
InChIKeyUHVREOPSHYIRFT-HNNXBMFYSA-N
MW248.37 g/mol
LogP2.62
Rot. Bonds7

About (2S)-2-[3-methylbut-2-enyl(pyridin-3-ylmethyl)amino]butan-1-ol

(2S)-2-[3-methylbut-2-enyl(pyridin-3-ylmethyl)amino]butan-1-ol (PubChem CID 164636404) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-2-[3-methylbut-2-enyl(pyridin-3-ylmethyl)amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[3-methylbut-2-enyl(pyridin-3-ylmethyl)amino]butan-1-ol
PubChem CID164636404
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S)-2-[3-methylbut-2-enyl(pyridin-3-ylmethyl)amino]butan-1-ol
SMILESCC[C@@H](CO)N(CC=C(C)C)Cc1cccnc1
InChIInChI=1S/C15H24N2O/c1-4-15(12-18)17(9-7-13(2)3)11-14-6-5-8-16-10-14/h5-8,10,15,18H,4,9,11-12H2,1-3H3/t15-/m0/s1
InChIKeyUHVREOPSHYIRFT-HNNXBMFYSA-N
XLogP2.62
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-[3-methylbut-2-enyl(pyridin-3-ylmethyl)amino]butan-1-ol with MolForge

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Related Compounds

2-[pentan-3-yl(pyridin-3-ylmethyl)amino]ethanol
CID 62013906
N-(1-hydroxybutan-2-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 46997556
2-[benzyl(ethyl)amino]butan-1-ol
CID 131985629
N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 50980902
3-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 63067935
3-ethylpyridine
CID 10823
4-[[butan-2-yl(pyridin-3-ylmethyl)amino]methyl]benzoic acid
CID 46988991
4-chloro-N-[(2S)-1-hydroxybutan-2-yl]-5-methyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 164637456
ethane;(E)-N-methyl-N-(pyridin-3-ylmethyl)but-2-en-2-amine
CID 91227633
2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoic acid
CID 115186030
3-[benzyl(1-hydroxybutan-2-yl)amino]propanoic acid
CID 82327539
N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 95225196

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-methylbut-2-enyl(pyridin-3-ylmethyl)amino]butan-1-ol?
The IUPAC name of (2S)-2-[3-methylbut-2-enyl(pyridin-3-ylmethyl)amino]butan-1-ol (CID 164636404) is (2S)-2-[3-methylbut-2-enyl(pyridin-3-ylmethyl)amino]butan-1-ol.
What is the SMILES notation for (2S)-2-[3-methylbut-2-enyl(pyridin-3-ylmethyl)amino]butan-1-ol?
The canonical SMILES for (2S)-2-[3-methylbut-2-enyl(pyridin-3-ylmethyl)amino]butan-1-ol is CC[C@@H](CO)N(CC=C(C)C)Cc1cccnc1.
What is the InChIKey of (2S)-2-[3-methylbut-2-enyl(pyridin-3-ylmethyl)amino]butan-1-ol?
The InChIKey is UHVREOPSHYIRFT-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-15(12-18)17(9-7-13(2)3)11-14-6-5-8-16-10-14/h5-8,10,15,18H,4,9,11-12H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-2-[3-methylbut-2-enyl(pyridin-3-ylmethyl)amino]butan-1-ol?
(2S)-2-[3-methylbut-2-enyl(pyridin-3-ylmethyl)amino]butan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-methylbut-2-enyl(pyridin-3-ylmethyl)amino]butan-1-ol is sourced from PubChem (CID 164636404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).