2-N-(3-ethylpentan-2-yl)-3-methylbenzene-1,2-diamine

C14H24N2 — CID 115550554

IUPAC2-N-(3-ethylpentan-2-yl)-3-methylbenzene-1,2-diamine
SMILESCCC(CC)C(C)Nc1c(C)cccc1N
InChIInChI=1S/C14H24N2/c1-5-12(6-2)11(4)16-14-10(3)8-7-9-13(14)15/h7-9,11-12,16H,5-6,15H2,1-4H3
InChIKeyUVNHDKLBEWWXBL-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.81
Rot. Bonds5

About 2-N-(3-ethylpentan-2-yl)-3-methylbenzene-1,2-diamine

2-N-(3-ethylpentan-2-yl)-3-methylbenzene-1,2-diamine (PubChem CID 115550554) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-N-(3-ethylpentan-2-yl)-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-ethylpentan-2-yl)-3-methylbenzene-1,2-diamine
PubChem CID115550554
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-N-(3-ethylpentan-2-yl)-3-methylbenzene-1,2-diamine
SMILESCCC(CC)C(C)Nc1c(C)cccc1N
InChIInChI=1S/C14H24N2/c1-5-12(6-2)11(4)16-14-10(3)8-7-9-13(14)15/h7-9,11-12,16H,5-6,15H2,1-4H3
InChIKeyUVNHDKLBEWWXBL-UHFFFAOYSA-N
XLogP3.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 82668611
2-(2-amino-6-methylanilino)propane-1,3-diol
CID 115550630
(2S)-2-(2-amino-6-methylanilino)-3-methylbutan-1-ol
CID 115550688
3-methyl-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 115550269
2-N-(4-methoxybutan-2-yl)-3-methylbenzene-1,2-diamine
CID 115550603
3-methyl-2-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine
CID 113333687
2-N-[1-(furan-2-yl)ethyl]-3-methylbenzene-1,2-diamine
CID 115550104
2-N-[1-(4-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine
CID 115550261
2-hydrazinyl-3-methylaniline
CID 118990747
3-methyl-2-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine
CID 83142598
2-methylaniline;2-methylpropan-1-amine
CID 22279170
3-chloro-1-N-(3-ethylpentan-2-yl)benzene-1,2-diamine
CID 104834569

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethylpentan-2-yl)-3-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(3-ethylpentan-2-yl)-3-methylbenzene-1,2-diamine (CID 115550554) is 2-N-(3-ethylpentan-2-yl)-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(3-ethylpentan-2-yl)-3-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(3-ethylpentan-2-yl)-3-methylbenzene-1,2-diamine is CCC(CC)C(C)Nc1c(C)cccc1N.
What is the InChIKey of 2-N-(3-ethylpentan-2-yl)-3-methylbenzene-1,2-diamine?
The InChIKey is UVNHDKLBEWWXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-12(6-2)11(4)16-14-10(3)8-7-9-13(14)15/h7-9,11-12,16H,5-6,15H2,1-4H3.
What are the key properties of 2-N-(3-ethylpentan-2-yl)-3-methylbenzene-1,2-diamine?
2-N-(3-ethylpentan-2-yl)-3-methylbenzene-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethylpentan-2-yl)-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 115550554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).