4-N-methyl-4-N-(2-methylprop-2-enyl)benzene-1,4-diamine

C11H16N2 — CID 130933659

IUPAC4-N-methyl-4-N-(2-methylprop-2-enyl)benzene-1,4-diamine
SMILESC=C(C)CN(C)c1ccc(N)cc1
InChIInChI=1S/C11H16N2/c1-9(2)8-13(3)11-6-4-10(12)5-7-11/h4-7H,1,8,12H2,2-3H3
InChIKeyFBCWZWHNWYTOKI-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.28
Rot. Bonds3

About 4-N-methyl-4-N-(2-methylprop-2-enyl)benzene-1,4-diamine

4-N-methyl-4-N-(2-methylprop-2-enyl)benzene-1,4-diamine (PubChem CID 130933659) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-N-methyl-4-N-(2-methylprop-2-enyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(2-methylprop-2-enyl)benzene-1,4-diamine
PubChem CID130933659
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4-N-methyl-4-N-(2-methylprop-2-enyl)benzene-1,4-diamine
SMILESC=C(C)CN(C)c1ccc(N)cc1
InChIInChI=1S/C11H16N2/c1-9(2)8-13(3)11-6-4-10(12)5-7-11/h4-7H,1,8,12H2,2-3H3
InChIKeyFBCWZWHNWYTOKI-UHFFFAOYSA-N
XLogP2.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[(1R)-1-aminoethyl]-N-methyl-N-(2-methylprop-2-enyl)pyridin-3-amine
CID 104868613
4-[4-[methyl(2-methylprop-2-enyl)amino]butan-2-yl]aniline
CID 113498668
2-(4-amino-N-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 54962159
4-iodo-1-N-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine
CID 131048738
4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 28894846
3-(4-aminophenoxy)-N-methyl-N-(2-methylprop-2-enyl)propanamide
CID 113498542
4-N-(2-ethylbutyl)-4-N-methylbenzene-1,4-diamine
CID 82929243
2-(4-amino-N-methylanilino)ethyl-trimethylazanium
CID 23132182
4-N-methyl-4-N-pentylbenzene-1,4-diamine
CID 28894857
4-amino-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 43119905
3-N-methyl-3-N-(2-methylprop-2-enyl)quinoxaline-2,3-diamine
CID 102987357
3-(4-amino-N-methylanilino)-2,2-dimethylpropanoic acid
CID 79623810

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(2-methylprop-2-enyl)benzene-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(2-methylprop-2-enyl)benzene-1,4-diamine (CID 130933659) is 4-N-methyl-4-N-(2-methylprop-2-enyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(2-methylprop-2-enyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(2-methylprop-2-enyl)benzene-1,4-diamine is C=C(C)CN(C)c1ccc(N)cc1.
What is the InChIKey of 4-N-methyl-4-N-(2-methylprop-2-enyl)benzene-1,4-diamine?
The InChIKey is FBCWZWHNWYTOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9(2)8-13(3)11-6-4-10(12)5-7-11/h4-7H,1,8,12H2,2-3H3.
What are the key properties of 4-N-methyl-4-N-(2-methylprop-2-enyl)benzene-1,4-diamine?
4-N-methyl-4-N-(2-methylprop-2-enyl)benzene-1,4-diamine has a molecular weight of 176.26 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(2-methylprop-2-enyl)benzene-1,4-diamine is sourced from PubChem (CID 130933659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).