1-amino-3-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide

C17H27N3O — CID 64552119

IUPAC1-amino-3-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NCCN(C)c2ccccc2)C1
InChIInChI=1S/C17H27N3O/c1-14-7-6-10-17(18,13-14)16(21)19-11-12-20(2)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13,18H2,1-2H3,(H,19,21)
InChIKeyMIRNDDFTEVFQOQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.15
Rot. Bonds5

About 1-amino-3-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide

1-amino-3-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide (PubChem CID 64552119) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-amino-3-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide
PubChem CID64552119
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-amino-3-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NCCN(C)c2ccccc2)C1
InChIInChI=1S/C17H27N3O/c1-14-7-6-10-17(18,13-14)16(21)19-11-12-20(2)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13,18H2,1-2H3,(H,19,21)
InChIKeyMIRNDDFTEVFQOQ-UHFFFAOYSA-N
XLogP2.15
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119831631
1-amino-3-methyl-N-(2-pyrrol-1-ylethyl)cyclohexane-1-carboxamide
CID 106390906
4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide
CID 115439457
N-[2-(N-methylanilino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24668035
1-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide
CID 103808128
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]butanoic acid
CID 64555264
1-amino-N-butyl-3-methyl-N-phenylcyclohexane-1-carboxamide
CID 64584223
1-amino-3-methyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 64551642
1-amino-3-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide
CID 64552753
1-methyl-3-[2-(N-methylanilino)ethyl]-1-(3-methylcyclohexyl)urea
CID 112834837
1-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 106105095
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide (CID 64552119) is 1-amino-3-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)NCCN(C)c2ccccc2)C1.
What is the InChIKey of 1-amino-3-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide?
The InChIKey is MIRNDDFTEVFQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-7-6-10-17(18,13-14)16(21)19-11-12-20(2)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13,18H2,1-2H3,(H,19,21).
What are the key properties of 1-amino-3-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide?
1-amino-3-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64552119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).