3-N-ethyl-3-N-(3-methylphenyl)cyclopentane-1,3-diamine

C14H22N2 — CID 79467781

IUPAC3-N-ethyl-3-N-(3-methylphenyl)cyclopentane-1,3-diamine
SMILESCCN(c1cccc(C)c1)C1CCC(N)C1
InChIInChI=1S/C14H22N2/c1-3-16(14-8-7-12(15)10-14)13-6-4-5-11(2)9-13/h4-6,9,12,14H,3,7-8,10,15H2,1-2H3
InChIKeyORINDYXCKPCZHP-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.70
Rot. Bonds3

About 3-N-ethyl-3-N-(3-methylphenyl)cyclopentane-1,3-diamine

3-N-ethyl-3-N-(3-methylphenyl)cyclopentane-1,3-diamine (PubChem CID 79467781) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(3-methylphenyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-(3-methylphenyl)cyclopentane-1,3-diamine
PubChem CID79467781
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-N-ethyl-3-N-(3-methylphenyl)cyclopentane-1,3-diamine
SMILESCCN(c1cccc(C)c1)C1CCC(N)C1
InChIInChI=1S/C14H22N2/c1-3-16(14-8-7-12(15)10-14)13-6-4-5-11(2)9-13/h4-6,9,12,14H,3,7-8,10,15H2,1-2H3
InChIKeyORINDYXCKPCZHP-UHFFFAOYSA-N
XLogP2.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-ethyl-3-methylaniline
CID 21396772
N-[2-(aminomethyl)-5-propylcyclohexyl]-N-ethyl-3-methylaniline
CID 63404368
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-methylaniline
CID 61076731
3-amino-N-ethyl-N-(3-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119705842
4-N-ethyl-4-N-(3-methyl-4-nitrophenyl)cyclohexane-1,4-diamine
CID 79112418
3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119831760
N-[(2-amino-5-methylcyclohexyl)methyl]-N-ethyl-3-methylaniline
CID 63495505
1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-4-ol
CID 82982103
3-amino-2-cyclopropyl-1-ethyl-1-(3-methylphenyl)guanidine
CID 116513735
N-benzyl-N-cyclohexyl-3-methylaniline
CID 21396776
2-[(4-aminocyclohexyl)-ethylamino]-N-(3-methylphenyl)acetamide
CID 79113681
1-(N-ethyl-3-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107684963

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-(3-methylphenyl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-(3-methylphenyl)cyclopentane-1,3-diamine (CID 79467781) is 3-N-ethyl-3-N-(3-methylphenyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-(3-methylphenyl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-(3-methylphenyl)cyclopentane-1,3-diamine is CCN(c1cccc(C)c1)C1CCC(N)C1.
What is the InChIKey of 3-N-ethyl-3-N-(3-methylphenyl)cyclopentane-1,3-diamine?
The InChIKey is ORINDYXCKPCZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-16(14-8-7-12(15)10-14)13-6-4-5-11(2)9-13/h4-6,9,12,14H,3,7-8,10,15H2,1-2H3.
What are the key properties of 3-N-ethyl-3-N-(3-methylphenyl)cyclopentane-1,3-diamine?
3-N-ethyl-3-N-(3-methylphenyl)cyclopentane-1,3-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-(3-methylphenyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 79467781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).