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

C17H29Cl2N3O — CID 119881701

IUPAC1-amino-N-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCN(CCN(C)c1ccccc1)C(=O)C1(N)CCCCC1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-19(15-9-5-3-6-10-15)13-14-20(2)16(21)17(18)11-7-4-8-12-17;;/h3,5-6,9-10H,4,7-8,11-14,18H2,1-2H3;2*1H
InChIKeyAQQYFUTVMFFFIR-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.09
Rot. Bonds5

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

1-amino-N-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119881701) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is 1-amino-N-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119881701
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC Name1-amino-N-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCN(CCN(C)c1ccccc1)C(=O)C1(N)CCCCC1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-19(15-9-5-3-6-10-15)13-14-20(2)16(21)17(18)11-7-4-8-12-17;;/h3,5-6,9-10H,4,7-8,11-14,18H2,1-2H3;2*1H
InChIKeyAQQYFUTVMFFFIR-UHFFFAOYSA-N
XLogP3.09
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-methyl-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 54871932
1-amino-N-methyl-N-phenylcyclopentane-1-carboxamide;hydrochloride
CID 119261831
1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119831631
1-amino-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 119903422
1-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119274527
1-amino-N-methyl-N-(4-phenylbutyl)cyclopropane-1-carboxamide
CID 65464465
1-amino-3-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide
CID 64552119
1-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 60938352
1-amino-N-ethyl-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 60947468
1-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
CID 119297970
3-amino-N,2-dimethyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120503843
1-amino-N-[2-(dimethylamino)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65458412

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119881701) is 1-amino-N-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide;dihydrochloride is CN(CCN(C)c1ccccc1)C(=O)C1(N)CCCCC1.Cl.Cl.
What is the InChIKey of 1-amino-N-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is AQQYFUTVMFFFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c1-19(15-9-5-3-6-10-15)13-14-20(2)16(21)17(18)11-7-4-8-12-17;;/h3,5-6,9-10H,4,7-8,11-14,18H2,1-2H3;2*1H.
What are the key properties of 1-amino-N-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide;dihydrochloride?
1-amino-N-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119881701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).