2-N-ethyl-2-N-methyl-1-N-prop-2-enylbenzene-1,2-diamine

C12H18N2 — CID 138644287

IUPAC2-N-ethyl-2-N-methyl-1-N-prop-2-enylbenzene-1,2-diamine
SMILESC=CCNc1ccccc1N(C)CC
InChIInChI=1S/C12H18N2/c1-4-10-13-11-8-6-7-9-12(11)14(3)5-2/h4,6-9,13H,1,5,10H2,2-3H3
InChIKeyFEUYZOVEGFYBQS-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.74
Rot. Bonds5

About 2-N-ethyl-2-N-methyl-1-N-prop-2-enylbenzene-1,2-diamine

2-N-ethyl-2-N-methyl-1-N-prop-2-enylbenzene-1,2-diamine (PubChem CID 138644287) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-N-ethyl-2-N-methyl-1-N-prop-2-enylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-methyl-1-N-prop-2-enylbenzene-1,2-diamine
PubChem CID138644287
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-N-ethyl-2-N-methyl-1-N-prop-2-enylbenzene-1,2-diamine
SMILESC=CCNc1ccccc1N(C)CC
InChIInChI=1S/C12H18N2/c1-4-10-13-11-8-6-7-9-12(11)14(3)5-2/h4,6-9,13H,1,5,10H2,2-3H3
InChIKeyFEUYZOVEGFYBQS-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-ethyl-2-N-methyl-1-N-(2-methylpropyl)benzene-1,2-diamine
CID 115877058
3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424052
[2-(prop-2-enylamino)phenyl]methanol
CID 15084062
2-but-3-en-2-yl-N-prop-2-enylaniline
CID 45141266
1-N-[(E)-4-chlorobut-2-enyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106759556
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-methylprop-2-enyl)urea
CID 91661600
CID 89271155
CID 89271155
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxyethyl)urea
CID 111117119
(NZ)-N-[[2-(prop-2-enylamino)phenyl]methylidene]hydroxylamine
CID 87940344
2-N-ethyl-2-N-methylbenzene-1,2-diamine;dihydrochloride
CID 155970662
N-ethyl-N-methyl-2-prop-1-enylaniline
CID 173058466
(E)-4-[2-(dimethylamino)anilino]but-2-enoic acid
CID 106760146

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-methyl-1-N-prop-2-enylbenzene-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-methyl-1-N-prop-2-enylbenzene-1,2-diamine (CID 138644287) is 2-N-ethyl-2-N-methyl-1-N-prop-2-enylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-methyl-1-N-prop-2-enylbenzene-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-methyl-1-N-prop-2-enylbenzene-1,2-diamine is C=CCNc1ccccc1N(C)CC.
What is the InChIKey of 2-N-ethyl-2-N-methyl-1-N-prop-2-enylbenzene-1,2-diamine?
The InChIKey is FEUYZOVEGFYBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-4-10-13-11-8-6-7-9-12(11)14(3)5-2/h4,6-9,13H,1,5,10H2,2-3H3.
What are the key properties of 2-N-ethyl-2-N-methyl-1-N-prop-2-enylbenzene-1,2-diamine?
2-N-ethyl-2-N-methyl-1-N-prop-2-enylbenzene-1,2-diamine has a molecular weight of 190.29 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-methyl-1-N-prop-2-enylbenzene-1,2-diamine is sourced from PubChem (CID 138644287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).