2-(aminomethyl)-N-(2,6-diethylphenyl)-4,4-dimethylpentanamide

C18H30N2O — CID 107470936

IUPAC2-(aminomethyl)-N-(2,6-diethylphenyl)-4,4-dimethylpentanamide
SMILESCCc1cccc(CC)c1NC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C18H30N2O/c1-6-13-9-8-10-14(7-2)16(13)20-17(21)15(12-19)11-18(3,4)5/h8-10,15H,6-7,11-12,19H2,1-5H3,(H,20,21)
InChIKeyUQYJXBICWKLCIL-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.76
Rot. Bonds6

About 2-(aminomethyl)-N-(2,6-diethylphenyl)-4,4-dimethylpentanamide

2-(aminomethyl)-N-(2,6-diethylphenyl)-4,4-dimethylpentanamide (PubChem CID 107470936) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,6-diethylphenyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,6-diethylphenyl)-4,4-dimethylpentanamide
PubChem CID107470936
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-(aminomethyl)-N-(2,6-diethylphenyl)-4,4-dimethylpentanamide
SMILESCCc1cccc(CC)c1NC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C18H30N2O/c1-6-13-9-8-10-14(7-2)16(13)20-17(21)15(12-19)11-18(3,4)5/h8-10,15H,6-7,11-12,19H2,1-5H3,(H,20,21)
InChIKeyUQYJXBICWKLCIL-UHFFFAOYSA-N
XLogP3.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(2-ethylsulfanylphenyl)-4,4-dimethylpentanamide
CID 107471470
2-(aminomethyl)-N-[3-(dimethylamino)phenyl]-4,4-dimethylpentanamide
CID 107472557
2-(aminomethyl)-N-[(4-ethylphenyl)methyl]-4,4-dimethylpentanamide
CID 107472909
2-(aminomethyl)-N-(4-ethoxyphenyl)-4,4-dimethylpentanamide
CID 107470924
2-(aminomethyl)-N-(2,6-dibromophenyl)butanamide
CID 107599748
(2S)-2-amino-N-(2,6-diethylphenyl)hexanamide
CID 107143829
2-(aminomethyl)-N-(3-chloro-2-pyridinyl)-4,4-dimethylpentanamide
CID 107472859
2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide
CID 107470962
2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropyl)pentanamide
CID 107472030
2-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-dimethylpentanamide
CID 107471465
2-(aminomethyl)-N-(3-hydroxy-4-methylphenyl)-4,4-dimethylpentanamide
CID 107701269
2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-4,4-dimethylpentanamide
CID 107471403

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,6-diethylphenyl)-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2,6-diethylphenyl)-4,4-dimethylpentanamide (CID 107470936) is 2-(aminomethyl)-N-(2,6-diethylphenyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,6-diethylphenyl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,6-diethylphenyl)-4,4-dimethylpentanamide is CCc1cccc(CC)c1NC(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-N-(2,6-diethylphenyl)-4,4-dimethylpentanamide?
The InChIKey is UQYJXBICWKLCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-13-9-8-10-14(7-2)16(13)20-17(21)15(12-19)11-18(3,4)5/h8-10,15H,6-7,11-12,19H2,1-5H3,(H,20,21).
What are the key properties of 2-(aminomethyl)-N-(2,6-diethylphenyl)-4,4-dimethylpentanamide?
2-(aminomethyl)-N-(2,6-diethylphenyl)-4,4-dimethylpentanamide has a molecular weight of 290.45 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,6-diethylphenyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 107470936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).