N-[2-(4-ethenylphenyl)ethyl]-N',N'-diethylethane-1,2-diamine

C16H26N2 — CID 139721911

IUPACN-[2-(4-ethenylphenyl)ethyl]-N',N'-diethylethane-1,2-diamine
SMILESC=Cc1ccc(CCNCCN(CC)CC)cc1
InChIInChI=1S/C16H26N2/c1-4-15-7-9-16(10-8-15)11-12-17-13-14-18(5-2)6-3/h4,7-10,17H,1,5-6,11-14H2,2-3H3
InChIKeyWLYGJLCLMLWICY-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.80
Rot. Bonds9

About N-[2-(4-ethenylphenyl)ethyl]-N',N'-diethylethane-1,2-diamine

N-[2-(4-ethenylphenyl)ethyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 139721911) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[2-(4-ethenylphenyl)ethyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(4-ethenylphenyl)ethyl]-N',N'-diethylethane-1,2-diamine
PubChem CID139721911
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[2-(4-ethenylphenyl)ethyl]-N',N'-diethylethane-1,2-diamine
SMILESC=Cc1ccc(CCNCCN(CC)CC)cc1
InChIInChI=1S/C16H26N2/c1-4-15-7-9-16(10-8-15)11-12-17-13-14-18(5-2)6-3/h4,7-10,17H,1,5-6,11-14H2,2-3H3
InChIKeyWLYGJLCLMLWICY-UHFFFAOYSA-N
XLogP2.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethenylphenyl)-N-ethylethanamine
CID 20507043
N',N'-diethyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 12882439
2-(4-ethenylphenyl)-N,N-diethylethanamine;styrene
CID 159854693
N-[2-(4-ethenylphenyl)ethyl]propan-1-amine;toluene
CID 70548327
N',N'-diethyl-N-[3-(4-methylphenyl)propyl]ethane-1,2-diamine
CID 113406144
N'-[2-(4-ethenylphenyl)ethyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 151323239
ethane;2-[2-(4-ethenylphenyl)ethylamino]-1-phenylethanol
CID 144821977
N'-(4-ethenylphenyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 145320752
2-(4-chlorophenyl)-N-[2-(4-ethenylphenyl)ethyl]propan-1-amine
CID 144821853
1-ethenyl-4-hexylbenzene
CID 21225742
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 105346416

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethenylphenyl)ethyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[2-(4-ethenylphenyl)ethyl]-N',N'-diethylethane-1,2-diamine (CID 139721911) is N-[2-(4-ethenylphenyl)ethyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[2-(4-ethenylphenyl)ethyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[2-(4-ethenylphenyl)ethyl]-N',N'-diethylethane-1,2-diamine is C=Cc1ccc(CCNCCN(CC)CC)cc1.
What is the InChIKey of N-[2-(4-ethenylphenyl)ethyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is WLYGJLCLMLWICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-15-7-9-16(10-8-15)11-12-17-13-14-18(5-2)6-3/h4,7-10,17H,1,5-6,11-14H2,2-3H3.
What are the key properties of N-[2-(4-ethenylphenyl)ethyl]-N',N'-diethylethane-1,2-diamine?
N-[2-(4-ethenylphenyl)ethyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethenylphenyl)ethyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 139721911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).