2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide

C15H24N2O — CID 81374264

IUPAC2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide
SMILESCCCC(CN)C(=O)N[C@H](C)c1ccccc1C
InChIInChI=1S/C15H24N2O/c1-4-7-13(10-16)15(18)17-12(3)14-9-6-5-8-11(14)2/h5-6,8-9,12-13H,4,7,10,16H2,1-3H3,(H,17,18)/t12-,13?/m1/s1
InChIKeyATMVRCPNEYXZKA-PZORYLMUSA-N
MW248.37 g/mol
LogP2.55
Rot. Bonds6

About 2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide

2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide (PubChem CID 81374264) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide
PubChem CID81374264
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide
SMILESCCCC(CN)C(=O)N[C@H](C)c1ccccc1C
InChIInChI=1S/C15H24N2O/c1-4-7-13(10-16)15(18)17-12(3)14-9-6-5-8-11(14)2/h5-6,8-9,12-13H,4,7,10,16H2,1-3H3,(H,17,18)/t12-,13?/m1/s1
InChIKeyATMVRCPNEYXZKA-PZORYLMUSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pentanamide
CID 81387473
2-(aminomethyl)-4,4-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]pentanamide
CID 107472507
ethyl 2-amino-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]-3-oxopropanoate
CID 104877641
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide
CID 81363517
2-(aminomethyl)-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
CID 81407804
2-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]pentanamide
CID 81399560
2-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide
CID 112685603
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-N-pentan-2-ylpropanamide
CID 81374940
3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 81380300
4-amino-3-methyl-N-[1-(2-methylphenyl)ethyl]butanamide
CID 81087139
2-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 65229535
2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 81387150

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide (CID 81374264) is 2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide is CCCC(CN)C(=O)N[C@H](C)c1ccccc1C.
What is the InChIKey of 2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide?
The InChIKey is ATMVRCPNEYXZKA-PZORYLMUSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-7-13(10-16)15(18)17-12(3)14-9-6-5-8-11(14)2/h5-6,8-9,12-13H,4,7,10,16H2,1-3H3,(H,17,18)/t12-,13?/m1/s1.
What are the key properties of 2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide?
2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide has a molecular weight of 248.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide is sourced from PubChem (CID 81374264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).