2-(aminomethyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide

C14H22N2O — CID 65228366

IUPAC2-(aminomethyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
SMILESCC(C)C(CN)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-10(2)13(9-15)14(17)16-11(3)12-7-5-4-6-8-12/h4-8,10-11,13H,9,15H2,1-3H3,(H,16,17)/t11-,13?/m0/s1
InChIKeyDOABNLMSPURPAC-AMGKYWFPSA-N
MW234.34 g/mol
LogP2.09
Rot. Bonds5

About 2-(aminomethyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide

2-(aminomethyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide (PubChem CID 65228366) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
PubChem CID65228366
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(aminomethyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
SMILESCC(C)C(CN)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-10(2)13(9-15)14(17)16-11(3)12-7-5-4-6-8-12/h4-8,10-11,13H,9,15H2,1-3H3,(H,16,17)/t11-,13?/m0/s1
InChIKeyDOABNLMSPURPAC-AMGKYWFPSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-phenylacetic acid
CID 65227274
2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81360072
2-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbutanamide
CID 81373712
3-amino-2-methoxy-N-(1-phenylethyl)propanamide
CID 106110983
3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide
CID 81347787
2-(aminomethyl)-N-[furan-2-yl(phenyl)methyl]-3-methylbutanamide
CID 65225161
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
(2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide
CID 131853954
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide?
The IUPAC name of 2-(aminomethyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide (CID 65228366) is 2-(aminomethyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide is CC(C)C(CN)C(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide?
The InChIKey is DOABNLMSPURPAC-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)13(9-15)14(17)16-11(3)12-7-5-4-6-8-12/h4-8,10-11,13H,9,15H2,1-3H3,(H,16,17)/t11-,13?/m0/s1.
What are the key properties of 2-(aminomethyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide?
2-(aminomethyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide is sourced from PubChem (CID 65228366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).