4,6-dimethyl-3-N-pentan-3-ylbenzene-1,3-diamine

C13H22N2 — CID 104757851

IUPAC4,6-dimethyl-3-N-pentan-3-ylbenzene-1,3-diamine
SMILESCCC(CC)Nc1cc(N)c(C)cc1C
InChIInChI=1S/C13H22N2/c1-5-11(6-2)15-13-8-12(14)9(3)7-10(13)4/h7-8,11,15H,5-6,14H2,1-4H3
InChIKeyLNZPRXIBIAPTAU-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.49
Rot. Bonds4

About 4,6-dimethyl-3-N-pentan-3-ylbenzene-1,3-diamine

4,6-dimethyl-3-N-pentan-3-ylbenzene-1,3-diamine (PubChem CID 104757851) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4,6-dimethyl-3-N-pentan-3-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name4,6-dimethyl-3-N-pentan-3-ylbenzene-1,3-diamine
PubChem CID104757851
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4,6-dimethyl-3-N-pentan-3-ylbenzene-1,3-diamine
SMILESCCC(CC)Nc1cc(N)c(C)cc1C
InChIInChI=1S/C13H22N2/c1-5-11(6-2)15-13-8-12(14)9(3)7-10(13)4/h7-8,11,15H,5-6,14H2,1-4H3
InChIKeyLNZPRXIBIAPTAU-UHFFFAOYSA-N
XLogP3.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
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-(4-amino-5-chloro-2-methylanilino)butan-1-ol
CID 115554567
4-methyl-2-N-pentan-3-ylpyridine-2,5-diamine
CID 79173415
3-methyl-4-(pentan-3-ylamino)benzenecarbothioamide
CID 60929071
6-chloro-4-methyl-N-pentan-3-ylpyridin-3-amine
CID 130497605
N-(5-amino-2,4-dimethylphenyl)-1-cyanopropane-1-sulfonamide
CID 104757207
2-(4-amino-2,5-dimethylanilino)-3-methylbutanoic acid
CID 133230852
2-bromo-1-N-(1-methoxypentan-2-yl)-5-methylbenzene-1,4-diamine
CID 114048264
2-bromo-4-methyl-5-nitro-N-pentan-3-ylaniline
CID 113456261
2-chloro-4-N-(1-methoxypentan-2-yl)-5-methylbenzene-1,4-diamine
CID 113334355
N-ethyl-4-methyl-3-(pentan-3-ylamino)benzamide
CID 43734934
4-methyl-N-pentan-3-ylpyridin-3-amine
CID 63329847
2-chloro-4-methyl-N-pentan-3-ylaniline
CID 28967739

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-N-pentan-3-ylbenzene-1,3-diamine?
The IUPAC name of 4,6-dimethyl-3-N-pentan-3-ylbenzene-1,3-diamine (CID 104757851) is 4,6-dimethyl-3-N-pentan-3-ylbenzene-1,3-diamine.
What is the SMILES notation for 4,6-dimethyl-3-N-pentan-3-ylbenzene-1,3-diamine?
The canonical SMILES for 4,6-dimethyl-3-N-pentan-3-ylbenzene-1,3-diamine is CCC(CC)Nc1cc(N)c(C)cc1C.
What is the InChIKey of 4,6-dimethyl-3-N-pentan-3-ylbenzene-1,3-diamine?
The InChIKey is LNZPRXIBIAPTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-11(6-2)15-13-8-12(14)9(3)7-10(13)4/h7-8,11,15H,5-6,14H2,1-4H3.
What are the key properties of 4,6-dimethyl-3-N-pentan-3-ylbenzene-1,3-diamine?
4,6-dimethyl-3-N-pentan-3-ylbenzene-1,3-diamine has a molecular weight of 206.33 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 4,6-dimethyl-3-N-pentan-3-ylbenzene-1,3-diamine is sourced from PubChem (CID 104757851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).