2-(aminomethyl)-4,4-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]pentanamide

C17H28N2O — CID 107472507

IUPAC2-(aminomethyl)-4,4-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]pentanamide
SMILESCc1ccccc1[C@H](C)NC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C17H28N2O/c1-12-8-6-7-9-15(12)13(2)19-16(20)14(11-18)10-17(3,4)5/h6-9,13-14H,10-11,18H2,1-5H3,(H,19,20)/t13-,14?/m0/s1
InChIKeyDRKUWSOZGJNXEJ-LSLKUGRBSA-N
MW276.42 g/mol
LogP3.18
Rot. Bonds5

About 2-(aminomethyl)-4,4-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]pentanamide

2-(aminomethyl)-4,4-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]pentanamide (PubChem CID 107472507) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]pentanamide
PubChem CID107472507
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(aminomethyl)-4,4-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]pentanamide
SMILESCc1ccccc1[C@H](C)NC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C17H28N2O/c1-12-8-6-7-9-15(12)13(2)19-16(20)14(11-18)10-17(3,4)5/h6-9,13-14H,10-11,18H2,1-5H3,(H,19,20)/t13-,14?/m0/s1
InChIKeyDRKUWSOZGJNXEJ-LSLKUGRBSA-N
XLogP3.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide
CID 81374264
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide
CID 81363517
2-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide
CID 112685603
2-amino-N-[1-(2-methylphenyl)ethyl]butanediamide
CID 61259896
2-(aminomethyl)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-4,4-dimethylpentanamide
CID 107472449
2-(aminomethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4,4-dimethylpentanamide
CID 107472487
2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropan-2-yl)pentanamide
CID 107472103
2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride
CID 120983404
3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 81380300
4-amino-3-methyl-N-[1-(2-methylphenyl)ethyl]butanamide
CID 81087139
ethyl 2-amino-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]-3-oxopropanoate
CID 104877641
2-[2-(aminomethyl)phenyl]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 81312311

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]pentanamide (CID 107472507) is 2-(aminomethyl)-4,4-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4,4-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-4,4-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]pentanamide is Cc1ccccc1[C@H](C)NC(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-4,4-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]pentanamide?
The InChIKey is DRKUWSOZGJNXEJ-LSLKUGRBSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12-8-6-7-9-15(12)13(2)19-16(20)14(11-18)10-17(3,4)5/h6-9,13-14H,10-11,18H2,1-5H3,(H,19,20)/t13-,14?/m0/s1.
What are the key properties of 2-(aminomethyl)-4,4-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]pentanamide?
2-(aminomethyl)-4,4-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]pentanamide has a molecular weight of 276.42 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]pentanamide is sourced from PubChem (CID 107472507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).