3-N-(cyclobutylmethyl)-3-N-ethyl-5-methylbenzene-1,3-diamine

C14H22N2 — CID 107397082

IUPAC3-N-(cyclobutylmethyl)-3-N-ethyl-5-methylbenzene-1,3-diamine
SMILESCCN(CC1CCC1)c1cc(C)cc(N)c1
InChIInChI=1S/C14H22N2/c1-3-16(10-12-5-4-6-12)14-8-11(2)7-13(15)9-14/h7-9,12H,3-6,10,15H2,1-2H3
InChIKeyYXCVLKDFHFNNLA-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.20
Rot. Bonds4

About 3-N-(cyclobutylmethyl)-3-N-ethyl-5-methylbenzene-1,3-diamine

3-N-(cyclobutylmethyl)-3-N-ethyl-5-methylbenzene-1,3-diamine (PubChem CID 107397082) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-N-(cyclobutylmethyl)-3-N-ethyl-5-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(cyclobutylmethyl)-3-N-ethyl-5-methylbenzene-1,3-diamine
PubChem CID107397082
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-N-(cyclobutylmethyl)-3-N-ethyl-5-methylbenzene-1,3-diamine
SMILESCCN(CC1CCC1)c1cc(C)cc(N)c1
InChIInChI=1S/C14H22N2/c1-3-16(10-12-5-4-6-12)14-8-11(2)7-13(15)9-14/h7-9,12H,3-6,10,15H2,1-2H3
InChIKeyYXCVLKDFHFNNLA-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.20
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

3-N-(cyclobutylmethyl)-5-ethoxy-3-N-ethylbenzene-1,3-diamine
CID 107397110
3-N-(cyclobutylmethyl)-3-N-ethyl-5-propoxybenzene-1,3-diamine
CID 107397232
1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine
CID 107397225
2-amino-4-[cyclobutylmethyl(ethyl)amino]benzenesulfonamide
CID 107397185
N-(cyclobutylmethyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 107397656
4-[cyclobutylmethyl(ethyl)amino]benzenecarbothioamide
CID 107398830
N-ethyl-3-methyl-5-nitro-N-(piperidin-4-ylmethyl)aniline
CID 115981547
4-N-(cyclobutylmethyl)-4-N-ethyl-2-methylquinoline-4,6-diamine
CID 107397189
4-N-(cyclobutylmethyl)-4-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107403126
2-[3-amino-N-(2-hydroxyethyl)-5-methylanilino]ethanol
CID 112647279
4-[cyclobutylmethyl(ethyl)amino]thiophene-2-carbaldehyde
CID 107399474
2-N-(cyclobutylmethyl)-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine
CID 107397091

Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclobutylmethyl)-3-N-ethyl-5-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-(cyclobutylmethyl)-3-N-ethyl-5-methylbenzene-1,3-diamine (CID 107397082) is 3-N-(cyclobutylmethyl)-3-N-ethyl-5-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(cyclobutylmethyl)-3-N-ethyl-5-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(cyclobutylmethyl)-3-N-ethyl-5-methylbenzene-1,3-diamine is CCN(CC1CCC1)c1cc(C)cc(N)c1.
What is the InChIKey of 3-N-(cyclobutylmethyl)-3-N-ethyl-5-methylbenzene-1,3-diamine?
The InChIKey is YXCVLKDFHFNNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-16(10-12-5-4-6-12)14-8-11(2)7-13(15)9-14/h7-9,12H,3-6,10,15H2,1-2H3.
What are the key properties of 3-N-(cyclobutylmethyl)-3-N-ethyl-5-methylbenzene-1,3-diamine?
3-N-(cyclobutylmethyl)-3-N-ethyl-5-methylbenzene-1,3-diamine has a molecular weight of 218.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclobutylmethyl)-3-N-ethyl-5-methylbenzene-1,3-diamine is sourced from PubChem (CID 107397082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).