2,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine

C13H22N2 — CID 65378377

IUPAC2,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine
SMILESCc1ccc(NC(C)(CN)C(C)C)cc1
InChIInChI=1S/C13H22N2/c1-10(2)13(4,9-14)15-12-7-5-11(3)6-8-12/h5-8,10,15H,9,14H2,1-4H3
InChIKeySDYBHMGUYBPKBP-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.78
Rot. Bonds4

About 2,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine

2,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine (PubChem CID 65378377) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine.

Molecular Properties

Compound Name2,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine
PubChem CID65378377
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine
SMILESCc1ccc(NC(C)(CN)C(C)C)cc1
InChIInChI=1S/C13H22N2/c1-10(2)13(4,9-14)15-12-7-5-11(3)6-8-12/h5-8,10,15H,9,14H2,1-4H3
InChIKeySDYBHMGUYBPKBP-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine?
The IUPAC name of 2,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine (CID 65378377) is 2,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine.
What is the SMILES notation for 2,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine?
The canonical SMILES for 2,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine is Cc1ccc(NC(C)(CN)C(C)C)cc1.
What is the InChIKey of 2,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine?
The InChIKey is SDYBHMGUYBPKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10(2)13(4,9-14)15-12-7-5-11(3)6-8-12/h5-8,10,15H,9,14H2,1-4H3.
What are the key properties of 2,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine?
2,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine is sourced from PubChem (CID 65378377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).