N-(3,3-dimethylcyclopentyl)-1-(2,5-dimethylphenyl)ethane-1,2-diamine

C17H28N2 — CID 114544940

IUPACN-(3,3-dimethylcyclopentyl)-1-(2,5-dimethylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C)c(C(CN)NC2CCC(C)(C)C2)c1
InChIInChI=1S/C17H28N2/c1-12-5-6-13(2)15(9-12)16(11-18)19-14-7-8-17(3,4)10-14/h5-6,9,14,16,19H,7-8,10-11,18H2,1-4H3
InChIKeyCHMDJEWWUUVCEV-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.47
Rot. Bonds4

About N-(3,3-dimethylcyclopentyl)-1-(2,5-dimethylphenyl)ethane-1,2-diamine

N-(3,3-dimethylcyclopentyl)-1-(2,5-dimethylphenyl)ethane-1,2-diamine (PubChem CID 114544940) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-1-(2,5-dimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-1-(2,5-dimethylphenyl)ethane-1,2-diamine
PubChem CID114544940
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-(3,3-dimethylcyclopentyl)-1-(2,5-dimethylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C)c(C(CN)NC2CCC(C)(C)C2)c1
InChIInChI=1S/C17H28N2/c1-12-5-6-13(2)15(9-12)16(11-18)19-14-7-8-17(3,4)10-14/h5-6,9,14,16,19H,7-8,10-11,18H2,1-4H3
InChIKeyCHMDJEWWUUVCEV-UHFFFAOYSA-N
XLogP3.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine
CID 3129766
Biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-amine
CID 44578367
(S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine
CID 44592195
N'-[1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethyl]-N,N-dimethylpropane-1,3-diamine
CID 3396601
1-(2,4,6-Trimethylbenzyl)piperazine
CID 2737385
1-(4-tert-Butylbenzyl)piperazine
CID 2735657
(R)-N-methyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine
CID 44592156
(R)-N-isobutyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine
CID 44592157
(S)-N-methyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine
CID 44592158
N'-[4-[[3,4-bis[[4-(4-aminobutylamino)butylamino]methyl]phenyl]methylamino]butyl]butane-1,4-diamine;hydrochloride
CID 45263745
(9Z,12Z)-N-[1-(3,5-dimethylphenyl)ethyl]octadeca-9,12-dien-1-amine
CID 162647667
N(1)-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)-N(2),N(2)-dimethyl-1,2-ethanediamine
CID 416909

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-1-(2,5-dimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-1-(2,5-dimethylphenyl)ethane-1,2-diamine (CID 114544940) is N-(3,3-dimethylcyclopentyl)-1-(2,5-dimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-1-(2,5-dimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-1-(2,5-dimethylphenyl)ethane-1,2-diamine is Cc1ccc(C)c(C(CN)NC2CCC(C)(C)C2)c1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-1-(2,5-dimethylphenyl)ethane-1,2-diamine?
The InChIKey is CHMDJEWWUUVCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12-5-6-13(2)15(9-12)16(11-18)19-14-7-8-17(3,4)10-14/h5-6,9,14,16,19H,7-8,10-11,18H2,1-4H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-1-(2,5-dimethylphenyl)ethane-1,2-diamine?
N-(3,3-dimethylcyclopentyl)-1-(2,5-dimethylphenyl)ethane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-1-(2,5-dimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 114544940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).