4-N-cyclopentyl-4-N-ethyl-2-methylbenzene-1,4-diamine

C14H22N2 — CID 43540845

IUPAC4-N-cyclopentyl-4-N-ethyl-2-methylbenzene-1,4-diamine
SMILESCCN(c1ccc(N)c(C)c1)C1CCCC1
InChIInChI=1S/C14H22N2/c1-3-16(12-6-4-5-7-12)13-8-9-14(15)11(2)10-13/h8-10,12H,3-7,15H2,1-2H3
InChIKeyDUUQABHLYGKXCB-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.35
Rot. Bonds3

About 4-N-cyclopentyl-4-N-ethyl-2-methylbenzene-1,4-diamine

4-N-cyclopentyl-4-N-ethyl-2-methylbenzene-1,4-diamine (PubChem CID 43540845) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-N-cyclopentyl-4-N-ethyl-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-4-N-ethyl-2-methylbenzene-1,4-diamine
PubChem CID43540845
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-N-cyclopentyl-4-N-ethyl-2-methylbenzene-1,4-diamine
SMILESCCN(c1ccc(N)c(C)c1)C1CCCC1
InChIInChI=1S/C14H22N2/c1-3-16(12-6-4-5-7-12)13-8-9-14(15)11(2)10-13/h8-10,12H,3-7,15H2,1-2H3
InChIKeyDUUQABHLYGKXCB-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-N-cyclopentyl-N-ethyl-3-methylaniline
CID 107080258
4-N-cyclopentyl-4-N,2-dimethylbenzene-1,4-diamine
CID 43436341
4-(chloromethyl)-N-cyclopentyl-N-ethyl-3-methylaniline
CID 55222345
N-cyclopentyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline
CID 62136544
4-(2-aminopropyl)-N-cyclopentyl-N-ethyl-3-methylaniline
CID 63786963
2-amino-4-[cyclopentyl(ethyl)amino]benzoic acid
CID 113419729
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine
CID 55003816
1-N-cyclohexyl-1-N-ethyl-4-ethylsulfonylbenzene-1,3-diamine
CID 56831959
3-bromo-N-cyclohexyl-N-ethylaniline
CID 146003901
N-cyclohexyl-N-ethyl-3-methylaniline
CID 21396772
N-cyclohexyl-N-ethyl-4-fluoroaniline
CID 57205530
3-N-cyclopentyl-3-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80782218

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-4-N-ethyl-2-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-cyclopentyl-4-N-ethyl-2-methylbenzene-1,4-diamine (CID 43540845) is 4-N-cyclopentyl-4-N-ethyl-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-cyclopentyl-4-N-ethyl-2-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-cyclopentyl-4-N-ethyl-2-methylbenzene-1,4-diamine is CCN(c1ccc(N)c(C)c1)C1CCCC1.
What is the InChIKey of 4-N-cyclopentyl-4-N-ethyl-2-methylbenzene-1,4-diamine?
The InChIKey is DUUQABHLYGKXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-16(12-6-4-5-7-12)13-8-9-14(15)11(2)10-13/h8-10,12H,3-7,15H2,1-2H3.
What are the key properties of 4-N-cyclopentyl-4-N-ethyl-2-methylbenzene-1,4-diamine?
4-N-cyclopentyl-4-N-ethyl-2-methylbenzene-1,4-diamine has a molecular weight of 218.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-4-N-ethyl-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 43540845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).