N,N-dimethyl-1-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine

C17H28N2 — CID 79066063

IUPACN,N-dimethyl-1-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine
SMILESCNC(c1ccccc1C)C1(N(C)C)CCCCC1
InChIInChI=1S/C17H28N2/c1-14-10-6-7-11-15(14)16(18-2)17(19(3)4)12-8-5-9-13-17/h6-7,10-11,16,18H,5,8-9,12-13H2,1-4H3
InChIKeyZOMXZRKABICOAX-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.52
Rot. Bonds4

About N,N-dimethyl-1-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine

N,N-dimethyl-1-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine (PubChem CID 79066063) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine
PubChem CID79066063
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN,N-dimethyl-1-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine
SMILESCNC(c1ccccc1C)C1(N(C)C)CCCCC1
InChIInChI=1S/C17H28N2/c1-14-10-6-7-11-15(14)16(18-2)17(19(3)4)12-8-5-9-13-17/h6-7,10-11,16,18H,5,8-9,12-13H2,1-4H3
InChIKeyZOMXZRKABICOAX-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(1-methylcyclohexyl)-1-(2-methylphenyl)methanamine
CID 106829818
1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066805
1-[(2,5-dimethylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070605
1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79063504
1-[(2,3-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066885
N-methyl-1-(2-methyloxan-2-yl)-1-(2-methylphenyl)methanamine
CID 80683443
1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070606
N,N-dimethyl-1-[methylamino-(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 79066072
1-[(2-fluoro-3-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 82791986
1-[(2,4-difluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066741
1-[(2,5-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066890
N-methyl-1-(2-methylphenyl)-1-(1-morpholin-4-ylcyclopentyl)methanamine
CID 79061344

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-1-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine (CID 79066063) is N,N-dimethyl-1-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine is CNC(c1ccccc1C)C1(N(C)C)CCCCC1.
What is the InChIKey of N,N-dimethyl-1-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is ZOMXZRKABICOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-10-6-7-11-15(14)16(18-2)17(19(3)4)12-8-5-9-13-17/h6-7,10-11,16,18H,5,8-9,12-13H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine?
N,N-dimethyl-1-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 79066063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).