1-N'-[(2-ethenylphenyl)methyl]-1-N-methylethane-1,1-diamine

C12H18N2 — CID 134263971

IUPAC1-N'-[(2-ethenylphenyl)methyl]-1-N-methylethane-1,1-diamine
SMILESC=Cc1ccccc1CNC(C)NC
InChIInChI=1S/C12H18N2/c1-4-11-7-5-6-8-12(11)9-14-10(2)13-3/h4-8,10,13-14H,1,9H2,2-3H3
InChIKeyKGTOBFQVNHHVQR-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.98
Rot. Bonds5

About 1-N'-[(2-ethenylphenyl)methyl]-1-N-methylethane-1,1-diamine

1-N'-[(2-ethenylphenyl)methyl]-1-N-methylethane-1,1-diamine (PubChem CID 134263971) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-N'-[(2-ethenylphenyl)methyl]-1-N-methylethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-[(2-ethenylphenyl)methyl]-1-N-methylethane-1,1-diamine
PubChem CID134263971
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-N'-[(2-ethenylphenyl)methyl]-1-N-methylethane-1,1-diamine
SMILESC=Cc1ccccc1CNC(C)NC
InChIInChI=1S/C12H18N2/c1-4-11-7-5-6-8-12(11)9-14-10(2)13-3/h4-8,10,13-14H,1,9H2,2-3H3
InChIKeyKGTOBFQVNHHVQR-UHFFFAOYSA-N
XLogP1.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N'-[(2-ethenylphenyl)methyl]butane-1,1-diamine
CID 70498738
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N-[(2-ethenylphenyl)methyl]aniline
CID 68786307
3-N-[(2-ethenylphenyl)methyl]-2-(trimethoxysilylmethyl)butane-1,3-diamine;hydron;chloride
CID 19911230
1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340
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CID 19833787
1-(bromomethyl)-2-ethenylbenzene;2-methylprop-1-ene
CID 22617263
1-ethenyl-2-(2-ethylbutyl)benzene
CID 22475782
1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene
CID 22572053
1-[di(propan-2-yloxy)phosphorylmethyl]-2-ethenylbenzene
CID 87506474
N-[(2-fluorophenyl)methyl]but-3-en-2-amine
CID 115691124
1-ethenyl-2-pentylbenzene
CID 22171756

Frequently Asked Questions

What is the IUPAC name of 1-N'-[(2-ethenylphenyl)methyl]-1-N-methylethane-1,1-diamine?
The IUPAC name of 1-N'-[(2-ethenylphenyl)methyl]-1-N-methylethane-1,1-diamine (CID 134263971) is 1-N'-[(2-ethenylphenyl)methyl]-1-N-methylethane-1,1-diamine.
What is the SMILES notation for 1-N'-[(2-ethenylphenyl)methyl]-1-N-methylethane-1,1-diamine?
The canonical SMILES for 1-N'-[(2-ethenylphenyl)methyl]-1-N-methylethane-1,1-diamine is C=Cc1ccccc1CNC(C)NC.
What is the InChIKey of 1-N'-[(2-ethenylphenyl)methyl]-1-N-methylethane-1,1-diamine?
The InChIKey is KGTOBFQVNHHVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-4-11-7-5-6-8-12(11)9-14-10(2)13-3/h4-8,10,13-14H,1,9H2,2-3H3.
What are the key properties of 1-N'-[(2-ethenylphenyl)methyl]-1-N-methylethane-1,1-diamine?
1-N'-[(2-ethenylphenyl)methyl]-1-N-methylethane-1,1-diamine has a molecular weight of 190.29 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(2-ethenylphenyl)methyl]-1-N-methylethane-1,1-diamine is sourced from PubChem (CID 134263971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).