2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(4-methylphenyl)acetamide

C18H28N2O — CID 104678097

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(4-methylphenyl)acetamide
SMILESCCN(C(=O)CC1(CN)CCCCC1)c1ccc(C)cc1
InChIInChI=1S/C18H28N2O/c1-3-20(16-9-7-15(2)8-10-16)17(21)13-18(14-19)11-5-4-6-12-18/h7-10H,3-6,11-14,19H2,1-2H3
InChIKeyVVPHEQCBKIETDP-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.65
Rot. Bonds5

About 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(4-methylphenyl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(4-methylphenyl)acetamide (PubChem CID 104678097) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(4-methylphenyl)acetamide
PubChem CID104678097
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(4-methylphenyl)acetamide
SMILESCCN(C(=O)CC1(CN)CCCCC1)c1ccc(C)cc1
InChIInChI=1S/C18H28N2O/c1-3-20(16-9-7-15(2)8-10-16)17(21)13-18(14-19)11-5-4-6-12-18/h7-10H,3-6,11-14,19H2,1-2H3
InChIKeyVVPHEQCBKIETDP-UHFFFAOYSA-N
XLogP3.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(3-fluorophenyl)acetamide
CID 104678073
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethyl-4-methylaniline
CID 62260420
2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-propan-2-ylacetamide
CID 113440138
N-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline
CID 62259755
2-[1-(aminomethyl)cyclohexyl]-N,N-dipropylacetamide
CID 104677371
2-[1-(aminomethyl)cyclohexyl]-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
CID 113475600
2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 81172117
N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide
CID 116655376
2-[1-(aminomethyl)cyclohexyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide
CID 104677833
2-(2-aminoethoxy)-N-ethyl-N-(4-methylphenyl)acetamide
CID 79479435
2-[2-(aminomethyl)phenyl]-N-ethyl-N-(4-methylphenyl)acetamide
CID 81312467
N-ethyl-N-(4-methylphenyl)-3-sulfanylpropanamide
CID 107027712

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(4-methylphenyl)acetamide (CID 104678097) is 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(4-methylphenyl)acetamide is CCN(C(=O)CC1(CN)CCCCC1)c1ccc(C)cc1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(4-methylphenyl)acetamide?
The InChIKey is VVPHEQCBKIETDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-20(16-9-7-15(2)8-10-16)17(21)13-18(14-19)11-5-4-6-12-18/h7-10H,3-6,11-14,19H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(4-methylphenyl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(4-methylphenyl)acetamide has a molecular weight of 288.44 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 104678097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).