2-N-(2-cyclobutylethyl)-4,5-dimethylbenzene-1,2-diamine

C14H22N2 — CID 115126836

IUPAC2-N-(2-cyclobutylethyl)-4,5-dimethylbenzene-1,2-diamine
SMILESCc1cc(N)c(NCCC2CCC2)cc1C
InChIInChI=1S/C14H22N2/c1-10-8-13(15)14(9-11(10)2)16-7-6-12-4-3-5-12/h8-9,12,16H,3-7,15H2,1-2H3
InChIKeyBPKGSINVMQXQKT-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.49
Rot. Bonds4

About 2-N-(2-cyclobutylethyl)-4,5-dimethylbenzene-1,2-diamine

2-N-(2-cyclobutylethyl)-4,5-dimethylbenzene-1,2-diamine (PubChem CID 115126836) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-N-(2-cyclobutylethyl)-4,5-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-cyclobutylethyl)-4,5-dimethylbenzene-1,2-diamine
PubChem CID115126836
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-N-(2-cyclobutylethyl)-4,5-dimethylbenzene-1,2-diamine
SMILESCc1cc(N)c(NCCC2CCC2)cc1C
InChIInChI=1S/C14H22N2/c1-10-8-13(15)14(9-11(10)2)16-7-6-12-4-3-5-12/h8-9,12,16H,3-7,15H2,1-2H3
InChIKeyBPKGSINVMQXQKT-UHFFFAOYSA-N
XLogP3.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-(3-cyclopentylpropyl)-4,5-dimethoxybenzene-1,2-diamine
CID 106007224
2-N-(2-cyclopentylethyl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 63592338
1-N-(2-cyclopentylethyl)-4-methylsulfonylbenzene-1,2-diamine
CID 54932454
4-iodo-1-N-[2-(3-methylcyclohexyl)ethyl]benzene-1,2-diamine
CID 66079741
3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 60920158
2-chloro-5-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,4-diamine
CID 114514975
4,5-dichloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,2-diamine
CID 114514955
3-amino-4-(2-cyclohexylethylamino)benzoic acid
CID 54887730
6-amino-7-(2-cyclobutylethylamino)-3H-quinazolin-4-one
CID 136930473
4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747365
2-N-(cyclobutylmethyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83001680
7-amino-6-(2-cyclopentylethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 60920159

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-cyclobutylethyl)-4,5-dimethylbenzene-1,2-diamine?
The IUPAC name of 2-N-(2-cyclobutylethyl)-4,5-dimethylbenzene-1,2-diamine (CID 115126836) is 2-N-(2-cyclobutylethyl)-4,5-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-cyclobutylethyl)-4,5-dimethylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(2-cyclobutylethyl)-4,5-dimethylbenzene-1,2-diamine is Cc1cc(N)c(NCCC2CCC2)cc1C.
What is the InChIKey of 2-N-(2-cyclobutylethyl)-4,5-dimethylbenzene-1,2-diamine?
The InChIKey is BPKGSINVMQXQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-8-13(15)14(9-11(10)2)16-7-6-12-4-3-5-12/h8-9,12,16H,3-7,15H2,1-2H3.
What are the key properties of 2-N-(2-cyclobutylethyl)-4,5-dimethylbenzene-1,2-diamine?
2-N-(2-cyclobutylethyl)-4,5-dimethylbenzene-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-cyclobutylethyl)-4,5-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 115126836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).