N-ethylbut-1-en-2-amine;2-[(2-methylphenyl)methyl]-1-piperidin-1-ylbutan-1-one

C23H38N2O — CID 144994804

IUPACN-ethylbut-1-en-2-amine;2-[(2-methylphenyl)methyl]-1-piperidin-1-ylbutan-1-one
SMILESC=C(CC)NCC.CCC(Cc1ccccc1C)C(=O)N1CCCCC1
InChIInChI=1S/C17H25NO.C6H13N/c1-3-15(13-16-10-6-5-9-14(16)2)17(19)18-11-7-4-8-12-18;1-4-6(3)7-5-2/h5-6,9-10,15H,3-4,7-8,11-13H2,1-2H3;7H,3-5H2,1-2H3
InChIKeyNJPZOVJWGYURAA-UHFFFAOYSA-N
MW358.57 g/mol
LogP5.10
Rot. Bonds7

About N-ethylbut-1-en-2-amine;2-[(2-methylphenyl)methyl]-1-piperidin-1-ylbutan-1-one

N-ethylbut-1-en-2-amine;2-[(2-methylphenyl)methyl]-1-piperidin-1-ylbutan-1-one (PubChem CID 144994804) has the molecular formula C23H38N2O and a molecular weight of 358.57 g/mol. Its IUPAC name is N-ethylbut-1-en-2-amine;2-[(2-methylphenyl)methyl]-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound NameN-ethylbut-1-en-2-amine;2-[(2-methylphenyl)methyl]-1-piperidin-1-ylbutan-1-one
PubChem CID144994804
Molecular FormulaC23H38N2O
Molecular Weight358.57 g/mol
Exact Mass358.30
IUPAC NameN-ethylbut-1-en-2-amine;2-[(2-methylphenyl)methyl]-1-piperidin-1-ylbutan-1-one
SMILESC=C(CC)NCC.CCC(Cc1ccccc1C)C(=O)N1CCCCC1
InChIInChI=1S/C17H25NO.C6H13N/c1-3-15(13-16-10-6-5-9-14(16)2)17(19)18-11-7-4-8-12-18;1-4-6(3)7-5-2/h5-6,9-10,15H,3-4,7-8,11-13H2,1-2H3;7H,3-5H2,1-2H3
InChIKeyNJPZOVJWGYURAA-UHFFFAOYSA-N
XLogP5.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethylbut-1-en-2-amine;2-[(2-methylphenyl)methyl]-1-piperidin-1-ylbutan-1-one with MolForge

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Related Compounds

N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 108897154
2-ethyl-1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one
CID 110365362
(2R)-2-(2-methylphenoxy)-1-piperidin-1-ylbutan-1-one
CID 93488066
N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-1-(2-methylphenyl)methanesulfonamide
CID 110349138
1-(2-methylphenyl)-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]methanesulfonamide
CID 110286886
3-(azepan-1-yl)-2,2-dimethyl-N-[(2-methylphenyl)methyl]-3-oxopropanamide
CID 108961716
2-(aminomethyl)-3-(2,5-dimethylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 62082064
1-[1-(2-methylphenyl)pentan-2-yl]piperidine
CID 176959434
2-[(2-bromophenyl)methyl]-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 119544329
2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 62392311
1-ethyl-2-[(2-methylphenyl)methyl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111359007
1-(2-ethylbutanoyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 110083663

Frequently Asked Questions

What is the IUPAC name of N-ethylbut-1-en-2-amine;2-[(2-methylphenyl)methyl]-1-piperidin-1-ylbutan-1-one?
The IUPAC name of N-ethylbut-1-en-2-amine;2-[(2-methylphenyl)methyl]-1-piperidin-1-ylbutan-1-one (CID 144994804) is N-ethylbut-1-en-2-amine;2-[(2-methylphenyl)methyl]-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for N-ethylbut-1-en-2-amine;2-[(2-methylphenyl)methyl]-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for N-ethylbut-1-en-2-amine;2-[(2-methylphenyl)methyl]-1-piperidin-1-ylbutan-1-one is C=C(CC)NCC.CCC(Cc1ccccc1C)C(=O)N1CCCCC1.
What is the InChIKey of N-ethylbut-1-en-2-amine;2-[(2-methylphenyl)methyl]-1-piperidin-1-ylbutan-1-one?
The InChIKey is NJPZOVJWGYURAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO.C6H13N/c1-3-15(13-16-10-6-5-9-14(16)2)17(19)18-11-7-4-8-12-18;1-4-6(3)7-5-2/h5-6,9-10,15H,3-4,7-8,11-13H2,1-2H3;7H,3-5H2,1-2H3.
What are the key properties of N-ethylbut-1-en-2-amine;2-[(2-methylphenyl)methyl]-1-piperidin-1-ylbutan-1-one?
N-ethylbut-1-en-2-amine;2-[(2-methylphenyl)methyl]-1-piperidin-1-ylbutan-1-one has a molecular weight of 358.57 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylbut-1-en-2-amine;2-[(2-methylphenyl)methyl]-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 144994804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).