N-prop-2-enyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine

C14H22N2 — CID 65383239

IUPACN-prop-2-enyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESC=CCNC(CN)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H22N2/c1-5-6-16-13(9-15)14-11(3)7-10(2)8-12(14)4/h5,7-8,13,16H,1,6,9,15H2,2-4H3
InChIKeyDNGUPZZEIVEWAG-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.39
Rot. Bonds5

About N-prop-2-enyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine

N-prop-2-enyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (PubChem CID 65383239) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-prop-2-enyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-prop-2-enyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
PubChem CID65383239
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-prop-2-enyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESC=CCNC(CN)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H22N2/c1-5-6-16-13(9-15)14-11(3)7-10(2)8-12(14)4/h5,7-8,13,16H,1,6,9,15H2,2-4H3
InChIKeyDNGUPZZEIVEWAG-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
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

N-(cyclopropylmethyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 65382922
1-(3-methylphenyl)-N-prop-2-enylethane-1,2-diamine
CID 65382812
1-(2,6-difluorophenyl)-N-prop-2-enylethane-1,2-diamine
CID 65380173
1-(2,4,6-trimethylphenyl)pent-4-enylhydrazine
CID 105311566
1-(2,4-dimethoxyphenyl)-N-prop-2-enylethane-1,2-diamine
CID 65382605
1-(3-ethoxyphenyl)-N-prop-2-enylethane-1,2-diamine
CID 65383447
1-(3-methylimidazol-4-yl)-N-prop-2-enylethane-1,2-diamine
CID 66118161
1-(2,4,6-trimethylphenyl)prop-2-en-1-amine
CID 55282598
(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517545
1-(3-bromo-4-methoxyphenyl)-N-prop-2-enylethane-1,2-diamine
CID 65383655
(1S)-1-(2,4,6-trimethylphenyl)pent-4-en-1-amine;hydrochloride
CID 171225337
N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine
CID 43491139

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N-prop-2-enyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (CID 65383239) is N-prop-2-enyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-prop-2-enyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-prop-2-enyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is C=CCNC(CN)c1c(C)cc(C)cc1C.
What is the InChIKey of N-prop-2-enyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The InChIKey is DNGUPZZEIVEWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-5-6-16-13(9-15)14-11(3)7-10(2)8-12(14)4/h5,7-8,13,16H,1,6,9,15H2,2-4H3.
What are the key properties of N-prop-2-enyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
N-prop-2-enyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65383239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).