N,N-dimethyl-1-[1-(methylamino)-2-(4-methylphenyl)ethyl]cyclopentan-1-amine

C17H28N2 — CID 79070291

IUPACN,N-dimethyl-1-[1-(methylamino)-2-(4-methylphenyl)ethyl]cyclopentan-1-amine
SMILESCNC(Cc1ccc(C)cc1)C1(N(C)C)CCCC1
InChIInChI=1S/C17H28N2/c1-14-7-9-15(10-8-14)13-16(18-2)17(19(3)4)11-5-6-12-17/h7-10,16,18H,5-6,11-13H2,1-4H3
InChIKeyVJXZPVGVGOSRBU-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.00
Rot. Bonds5

About N,N-dimethyl-1-[1-(methylamino)-2-(4-methylphenyl)ethyl]cyclopentan-1-amine

N,N-dimethyl-1-[1-(methylamino)-2-(4-methylphenyl)ethyl]cyclopentan-1-amine (PubChem CID 79070291) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-(methylamino)-2-(4-methylphenyl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-(methylamino)-2-(4-methylphenyl)ethyl]cyclopentan-1-amine
PubChem CID79070291
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN,N-dimethyl-1-[1-(methylamino)-2-(4-methylphenyl)ethyl]cyclopentan-1-amine
SMILESCNC(Cc1ccc(C)cc1)C1(N(C)C)CCCC1
InChIInChI=1S/C17H28N2/c1-14-7-9-15(10-8-14)13-16(18-2)17(19(3)4)11-5-6-12-17/h7-10,16,18H,5-6,11-13H2,1-4H3
InChIKeyVJXZPVGVGOSRBU-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-[1-(methylamino)-2-phenylethyl]cyclopentan-1-amine
CID 79070215
1-[1-hydrazinyl-2-(4-methylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243879
1-[1-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)ethanol
CID 79066048
1-(1-ethoxycyclopentyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 116761943
1-[2-(4-chlorophenyl)-1-(methylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79062833
1-[2-(2,6-dichlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79060882
1-[2-(2-chlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070452
1-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylcycloheptan-1-amine
CID 79063752
1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79065996
N,N-dimethyl-1-[1-(methylamino)-2-thiophen-2-ylethyl]cycloheptan-1-amine
CID 79080928
1-[2-ethoxy-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79570777
1-[2-(3-bromo-2,6-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 106267919

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-(methylamino)-2-(4-methylphenyl)ethyl]cyclopentan-1-amine?
The IUPAC name of N,N-dimethyl-1-[1-(methylamino)-2-(4-methylphenyl)ethyl]cyclopentan-1-amine (CID 79070291) is N,N-dimethyl-1-[1-(methylamino)-2-(4-methylphenyl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[1-(methylamino)-2-(4-methylphenyl)ethyl]cyclopentan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[1-(methylamino)-2-(4-methylphenyl)ethyl]cyclopentan-1-amine is CNC(Cc1ccc(C)cc1)C1(N(C)C)CCCC1.
What is the InChIKey of N,N-dimethyl-1-[1-(methylamino)-2-(4-methylphenyl)ethyl]cyclopentan-1-amine?
The InChIKey is VJXZPVGVGOSRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-7-9-15(10-8-14)13-16(18-2)17(19(3)4)11-5-6-12-17/h7-10,16,18H,5-6,11-13H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[1-(methylamino)-2-(4-methylphenyl)ethyl]cyclopentan-1-amine?
N,N-dimethyl-1-[1-(methylamino)-2-(4-methylphenyl)ethyl]cyclopentan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-(methylamino)-2-(4-methylphenyl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 79070291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).