1-N-ethyl-3,3-dimethyl-1-N-(2-methylphenyl)-2-N-propylcyclopentane-1,2-diamine

C19H32N2 — CID 79865413

IUPAC1-N-ethyl-3,3-dimethyl-1-N-(2-methylphenyl)-2-N-propylcyclopentane-1,2-diamine
SMILESCCCNC1C(N(CC)c2ccccc2C)CCC1(C)C
InChIInChI=1S/C19H32N2/c1-6-14-20-18-17(12-13-19(18,4)5)21(7-2)16-11-9-8-10-15(16)3/h8-11,17-18,20H,6-7,12-14H2,1-5H3
InChIKeyLVPKBSPFMIVJKN-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.38
Rot. Bonds6

About 1-N-ethyl-3,3-dimethyl-1-N-(2-methylphenyl)-2-N-propylcyclopentane-1,2-diamine

1-N-ethyl-3,3-dimethyl-1-N-(2-methylphenyl)-2-N-propylcyclopentane-1,2-diamine (PubChem CID 79865413) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-N-ethyl-3,3-dimethyl-1-N-(2-methylphenyl)-2-N-propylcyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-3,3-dimethyl-1-N-(2-methylphenyl)-2-N-propylcyclopentane-1,2-diamine
PubChem CID79865413
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-N-ethyl-3,3-dimethyl-1-N-(2-methylphenyl)-2-N-propylcyclopentane-1,2-diamine
SMILESCCCNC1C(N(CC)c2ccccc2C)CCC1(C)C
InChIInChI=1S/C19H32N2/c1-6-14-20-18-17(12-13-19(18,4)5)21(7-2)16-11-9-8-10-15(16)3/h8-11,17-18,20H,6-7,12-14H2,1-5H3
InChIKeyLVPKBSPFMIVJKN-UHFFFAOYSA-N
XLogP4.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[2-(dimethylamino)ethyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine
CID 79860080
N-cyclopropyl-N-ethyl-2-methylaniline
CID 123141006
5-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 107656973
1-N-cyclopropyl-3,3-dimethyl-1-N-(2-methylpropyl)-2-N-propylcyclopentane-1,2-diamine
CID 79860298
2,2-dimethyl-6-[(2-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine
CID 79841962
1-N-ethyl-3,3-dimethyl-1-N-(2-methylbutyl)-2-N-propylcyclopentane-1,2-diamine
CID 79859524
1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine
CID 79865652
1-N-ethyl-3,3-dimethyl-1-N-(oxolan-2-ylmethyl)-2-N-propylcyclopentane-1,2-diamine
CID 79859970
N-[2-(aminomethyl)-5-methylcyclohexyl]-N-ethyl-2-methylaniline
CID 43428482
N-ethyl-2-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63484140
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethyl-2-methylaniline
CID 79866942
1-N,3,3-trimethyl-1-N-(oxolan-3-yl)-2-N-propylcyclopentane-1,2-diamine
CID 82734966

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-3,3-dimethyl-1-N-(2-methylphenyl)-2-N-propylcyclopentane-1,2-diamine?
The IUPAC name of 1-N-ethyl-3,3-dimethyl-1-N-(2-methylphenyl)-2-N-propylcyclopentane-1,2-diamine (CID 79865413) is 1-N-ethyl-3,3-dimethyl-1-N-(2-methylphenyl)-2-N-propylcyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-3,3-dimethyl-1-N-(2-methylphenyl)-2-N-propylcyclopentane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-3,3-dimethyl-1-N-(2-methylphenyl)-2-N-propylcyclopentane-1,2-diamine is CCCNC1C(N(CC)c2ccccc2C)CCC1(C)C.
What is the InChIKey of 1-N-ethyl-3,3-dimethyl-1-N-(2-methylphenyl)-2-N-propylcyclopentane-1,2-diamine?
The InChIKey is LVPKBSPFMIVJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-14-20-18-17(12-13-19(18,4)5)21(7-2)16-11-9-8-10-15(16)3/h8-11,17-18,20H,6-7,12-14H2,1-5H3.
What are the key properties of 1-N-ethyl-3,3-dimethyl-1-N-(2-methylphenyl)-2-N-propylcyclopentane-1,2-diamine?
1-N-ethyl-3,3-dimethyl-1-N-(2-methylphenyl)-2-N-propylcyclopentane-1,2-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3,3-dimethyl-1-N-(2-methylphenyl)-2-N-propylcyclopentane-1,2-diamine is sourced from PubChem (CID 79865413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).