1-(3,5-dimethylphenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine

C14H22N2 — CID 114616122

IUPAC1-(3,5-dimethylphenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
SMILESC=C(C)CNC(CN)c1cc(C)cc(C)c1
InChIInChI=1S/C14H22N2/c1-10(2)9-16-14(8-15)13-6-11(3)5-12(4)7-13/h5-7,14,16H,1,8-9,15H2,2-4H3
InChIKeyJDKZALKTRQTRBJ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.47
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine

1-(3,5-dimethylphenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine (PubChem CID 114616122) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
PubChem CID114616122
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(3,5-dimethylphenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
SMILESC=C(C)CNC(CN)c1cc(C)cc(C)c1
InChIInChI=1S/C14H22N2/c1-10(2)9-16-14(8-15)13-6-11(3)5-12(4)7-13/h5-7,14,16H,1,8-9,15H2,2-4H3
InChIKeyJDKZALKTRQTRBJ-UHFFFAOYSA-N
XLogP2.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-5-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616017
1-(3-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616318
1-(3-chloro-4-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616189
N-(2-methylprop-2-enyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 114616278
5-[[2-amino-1-(3,5-dimethylphenyl)ethyl]amino]pentan-1-ol
CID 107316866
N-(2-methylprop-2-enyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 114615991
1-(2-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616027
(1R)-1-(3,5-dimethylphenyl)-3-methylbut-3-en-1-amine
CID 131096191
N-(2-methylprop-2-enyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 114616293
[1-(3-chloro-5-methylphenyl)-3-methylbut-3-enyl]hydrazine
CID 105319456
N-but-3-yn-2-yl-1-(3,5-dimethylphenyl)ethane-1,2-diamine
CID 114415987
1-(2-chloro-6-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616201

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine (CID 114616122) is 1-(3,5-dimethylphenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine is C=C(C)CNC(CN)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
The InChIKey is JDKZALKTRQTRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10(2)9-16-14(8-15)13-6-11(3)5-12(4)7-13/h5-7,14,16H,1,8-9,15H2,2-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
1-(3,5-dimethylphenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine is sourced from PubChem (CID 114616122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).