2-methyl-4-N-[(E)-pent-2-enyl]benzene-1,4-diamine

C12H18N2 — CID 131239425

IUPAC2-methyl-4-N-[(E)-pent-2-enyl]benzene-1,4-diamine
SMILESCC/C=C/CNc1ccc(N)c(C)c1
InChIInChI=1S/C12H18N2/c1-3-4-5-8-14-11-6-7-12(13)10(2)9-11/h4-7,9,14H,3,8,13H2,1-2H3/b5-4+
InChIKeyYMIAYUMNVOKJOQ-SNAWJCMRSA-N
MW190.29 g/mol
LogP2.96
Rot. Bonds4

About 2-methyl-4-N-[(E)-pent-2-enyl]benzene-1,4-diamine

2-methyl-4-N-[(E)-pent-2-enyl]benzene-1,4-diamine (PubChem CID 131239425) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-methyl-4-N-[(E)-pent-2-enyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-4-N-[(E)-pent-2-enyl]benzene-1,4-diamine
PubChem CID131239425
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-methyl-4-N-[(E)-pent-2-enyl]benzene-1,4-diamine
SMILESCC/C=C/CNc1ccc(N)c(C)c1
InChIInChI=1S/C12H18N2/c1-3-4-5-8-14-11-6-7-12(13)10(2)9-11/h4-7,9,14H,3,8,13H2,1-2H3/b5-4+
InChIKeyYMIAYUMNVOKJOQ-SNAWJCMRSA-N
XLogP2.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-N-[(E)-pent-2-enyl]benzene-1,2,4-triamine
CID 131246902
4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine
CID 58611253
4-N-[2-[2-(4-amino-3-methylanilino)ethylamino]ethyl]-2-methylbenzene-1,4-diamine
CID 69450838
4-N-ethyl-2-methylbenzene-1,4-diamine;oxirane
CID 88803762
2-[3-(3-aminoanilino)prop-1-enyl]-5-methylbenzene-1,4-diamine
CID 69341202
4-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine
CID 43436308
4-[(4-amino-3-methylanilino)methyl]phenol
CID 23437192
2-methyl-4-N-(3-methylpentyl)benzene-1,4-diamine
CID 57089963
4-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,4-diamine
CID 61380702
2-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54931234
2-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-diamine
CID 23104838
2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 62523846

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-[(E)-pent-2-enyl]benzene-1,4-diamine?
The IUPAC name of 2-methyl-4-N-[(E)-pent-2-enyl]benzene-1,4-diamine (CID 131239425) is 2-methyl-4-N-[(E)-pent-2-enyl]benzene-1,4-diamine.
What is the SMILES notation for 2-methyl-4-N-[(E)-pent-2-enyl]benzene-1,4-diamine?
The canonical SMILES for 2-methyl-4-N-[(E)-pent-2-enyl]benzene-1,4-diamine is CC/C=C/CNc1ccc(N)c(C)c1.
What is the InChIKey of 2-methyl-4-N-[(E)-pent-2-enyl]benzene-1,4-diamine?
The InChIKey is YMIAYUMNVOKJOQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-4-5-8-14-11-6-7-12(13)10(2)9-11/h4-7,9,14H,3,8,13H2,1-2H3/b5-4+.
What are the key properties of 2-methyl-4-N-[(E)-pent-2-enyl]benzene-1,4-diamine?
2-methyl-4-N-[(E)-pent-2-enyl]benzene-1,4-diamine has a molecular weight of 190.29 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-[(E)-pent-2-enyl]benzene-1,4-diamine is sourced from PubChem (CID 131239425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).