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

C19H32N2 — CID 79058648

IUPACN,N-dimethyl-1-[2-(2-methylphenyl)-1-(propylamino)ethyl]cyclopentan-1-amine
SMILESCCCNC(Cc1ccccc1C)C1(N(C)C)CCCC1
InChIInChI=1S/C19H32N2/c1-5-14-20-18(15-17-11-7-6-10-16(17)2)19(21(3)4)12-8-9-13-19/h6-7,10-11,18,20H,5,8-9,12-15H2,1-4H3
InChIKeyXNHBNNHRJXMITC-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.78
Rot. Bonds7

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

N,N-dimethyl-1-[2-(2-methylphenyl)-1-(propylamino)ethyl]cyclopentan-1-amine (PubChem CID 79058648) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(2-methylphenyl)-1-(propylamino)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(2-methylphenyl)-1-(propylamino)ethyl]cyclopentan-1-amine
PubChem CID79058648
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN,N-dimethyl-1-[2-(2-methylphenyl)-1-(propylamino)ethyl]cyclopentan-1-amine
SMILESCCCNC(Cc1ccccc1C)C1(N(C)C)CCCC1
InChIInChI=1S/C19H32N2/c1-5-14-20-18(15-17-11-7-6-10-16(17)2)19(21(3)4)12-8-9-13-19/h6-7,10-11,18,20H,5,8-9,12-15H2,1-4H3
InChIKeyXNHBNNHRJXMITC-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-ethoxycyclopentyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 116762389
N-[1-(1-methoxycyclobutyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 116714965
1-[1-(dimethylamino)cycloheptyl]-2-(2-methylphenyl)ethanol
CID 79074275
N,N-dimethyl-1-[3-methyl-1-(propylamino)butyl]cyclopentan-1-amine
CID 79069925
N-[1-(2,2-dimethylcyclohexyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 107179564
N,N-dimethyl-1-[2-(1-methylpyrazol-3-yl)-1-(propylamino)ethyl]cyclopentan-1-amine
CID 82876946
1-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylcycloheptan-1-amine
CID 79063752
N,N-dimethyl-1-[3-methyl-1-(propylamino)butyl]cycloheptan-1-amine
CID 79081393
N,N-dimethyl-1-[1-(propylamino)but-3-enyl]cyclopentan-1-amine
CID 79070855
1-[2-(2-chlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070452
1-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79570214
1-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79069853

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(2-methylphenyl)-1-(propylamino)ethyl]cyclopentan-1-amine?
The IUPAC name of N,N-dimethyl-1-[2-(2-methylphenyl)-1-(propylamino)ethyl]cyclopentan-1-amine (CID 79058648) is N,N-dimethyl-1-[2-(2-methylphenyl)-1-(propylamino)ethyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[2-(2-methylphenyl)-1-(propylamino)ethyl]cyclopentan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[2-(2-methylphenyl)-1-(propylamino)ethyl]cyclopentan-1-amine is CCCNC(Cc1ccccc1C)C1(N(C)C)CCCC1.
What is the InChIKey of N,N-dimethyl-1-[2-(2-methylphenyl)-1-(propylamino)ethyl]cyclopentan-1-amine?
The InChIKey is XNHBNNHRJXMITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-14-20-18(15-17-11-7-6-10-16(17)2)19(21(3)4)12-8-9-13-19/h6-7,10-11,18,20H,5,8-9,12-15H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[2-(2-methylphenyl)-1-(propylamino)ethyl]cyclopentan-1-amine?
N,N-dimethyl-1-[2-(2-methylphenyl)-1-(propylamino)ethyl]cyclopentan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(2-methylphenyl)-1-(propylamino)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 79058648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).