1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine

C18H30N2 — CID 83108539

IUPAC1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCc1ccc(C(C)NCC2(N(C)C)CCCC2)c(C)c1
InChIInChI=1S/C18H30N2/c1-14-8-9-17(15(2)12-14)16(3)19-13-18(20(4)5)10-6-7-11-18/h8-9,12,16,19H,6-7,10-11,13H2,1-5H3
InChIKeyWZEGJKIFZHTDKH-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.83
Rot. Bonds5

About 1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine

1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 83108539) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID83108539
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCc1ccc(C(C)NCC2(N(C)C)CCCC2)c(C)c1
InChIInChI=1S/C18H30N2/c1-14-8-9-17(15(2)12-14)16(3)19-13-18(20(4)5)10-6-7-11-18/h8-9,12,16,19H,6-7,10-11,13H2,1-5H3
InChIKeyWZEGJKIFZHTDKH-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122847
1-(2,4-dimethylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine
CID 114114845
N,N-dimethyl-1-[[1-(4-methylphenyl)ethylamino]methyl]cyclopentan-1-amine
CID 81301036
1-(2,4-dimethylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
CID 107270109
1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 81300272
1-[[1-(4-bromo-2-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83116978
N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 16776740
N-[(2,2-dimethylcyclopropyl)methyl]-1-(2,4-dimethylphenyl)ethanamine
CID 114107679
1-[[1-(2-bromo-4-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 102613571
N-[1-(2,4-dimethylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634705
2-[1-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]benzene-1,4-diol
CID 105415008
1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415755

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine (CID 83108539) is 1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine is Cc1ccc(C(C)NCC2(N(C)C)CCCC2)c(C)c1.
What is the InChIKey of 1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is WZEGJKIFZHTDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14-8-9-17(15(2)12-14)16(3)19-13-18(20(4)5)10-6-7-11-18/h8-9,12,16,19H,6-7,10-11,13H2,1-5H3.
What are the key properties of 1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 83108539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).