4,5-dimethyl-2-N-pentan-2-ylbenzene-1,2-diamine

C13H22N2 — CID 107886633

IUPAC4,5-dimethyl-2-N-pentan-2-ylbenzene-1,2-diamine
SMILESCCCC(C)Nc1cc(C)c(C)cc1N
InChIInChI=1S/C13H22N2/c1-5-6-11(4)15-13-8-10(3)9(2)7-12(13)14/h7-8,11,15H,5-6,14H2,1-4H3
InChIKeyDTOFVPAAJIDKFG-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.49
Rot. Bonds4

About 4,5-dimethyl-2-N-pentan-2-ylbenzene-1,2-diamine

4,5-dimethyl-2-N-pentan-2-ylbenzene-1,2-diamine (PubChem CID 107886633) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4,5-dimethyl-2-N-pentan-2-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name4,5-dimethyl-2-N-pentan-2-ylbenzene-1,2-diamine
PubChem CID107886633
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4,5-dimethyl-2-N-pentan-2-ylbenzene-1,2-diamine
SMILESCCCC(C)Nc1cc(C)c(C)cc1N
InChIInChI=1S/C13H22N2/c1-5-6-11(4)15-13-8-10(3)9(2)7-12(13)14/h7-8,11,15H,5-6,14H2,1-4H3
InChIKeyDTOFVPAAJIDKFG-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

4,5-dimethyl-2-N-octan-4-ylbenzene-1,2-diamine
CID 114281304
2-chloro-4-N-hexan-2-yl-5-methylbenzene-1,4-diamine
CID 115554851
3-amino-4-[[(2S)-pentan-2-yl]amino]benzonitrile
CID 93094065
4-N-pentan-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747145
4-fluoro-1-N-(1-methoxypentan-2-yl)-5-methylbenzene-1,2-diamine
CID 103590454
4-N-pentan-2-ylbenzene-1,2,4-triamine
CID 106750233
3-amino-N-ethyl-4-[[(2S)-pentan-2-yl]amino]benzamide
CID 99919199
3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide
CID 82989916
2-methyl-N-pentan-2-yl-5-(trifluoromethyl)aniline
CID 66481332
3-methyl-4-(pentan-2-ylamino)benzoic acid
CID 43736098
6-methyl-2-N-pentan-2-ylpyridine-2,3-diamine
CID 81132763
3-chloro-1-N-pentan-2-ylbenzene-1,2-diamine
CID 104833946

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-N-pentan-2-ylbenzene-1,2-diamine?
The IUPAC name of 4,5-dimethyl-2-N-pentan-2-ylbenzene-1,2-diamine (CID 107886633) is 4,5-dimethyl-2-N-pentan-2-ylbenzene-1,2-diamine.
What is the SMILES notation for 4,5-dimethyl-2-N-pentan-2-ylbenzene-1,2-diamine?
The canonical SMILES for 4,5-dimethyl-2-N-pentan-2-ylbenzene-1,2-diamine is CCCC(C)Nc1cc(C)c(C)cc1N.
What is the InChIKey of 4,5-dimethyl-2-N-pentan-2-ylbenzene-1,2-diamine?
The InChIKey is DTOFVPAAJIDKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-6-11(4)15-13-8-10(3)9(2)7-12(13)14/h7-8,11,15H,5-6,14H2,1-4H3.
What are the key properties of 4,5-dimethyl-2-N-pentan-2-ylbenzene-1,2-diamine?
4,5-dimethyl-2-N-pentan-2-ylbenzene-1,2-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 4,5-dimethyl-2-N-pentan-2-ylbenzene-1,2-diamine is sourced from PubChem (CID 107886633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).