N-[(4-ethenylphenyl)methyl]-3-(ethylideneamino)-N-methylpropan-1-amine

C15H22N2 — CID 118343614

IUPACN-[(4-ethenylphenyl)methyl]-3-(ethylideneamino)-N-methylpropan-1-amine
SMILESC=Cc1ccc(CN(C)CCC/N=C/C)cc1
InChIInChI=1S/C15H22N2/c1-4-14-7-9-15(10-8-14)13-17(3)12-6-11-16-5-2/h4-5,7-10H,1,6,11-13H2,2-3H3/b16-5+
InChIKeyLGMNZMVRVVRTRX-FZSIALSZSA-N
MW230.35 g/mol
LogP3.24
Rot. Bonds7

About N-[(4-ethenylphenyl)methyl]-3-(ethylideneamino)-N-methylpropan-1-amine

N-[(4-ethenylphenyl)methyl]-3-(ethylideneamino)-N-methylpropan-1-amine (PubChem CID 118343614) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-[(4-ethenylphenyl)methyl]-3-(ethylideneamino)-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-ethenylphenyl)methyl]-3-(ethylideneamino)-N-methylpropan-1-amine
PubChem CID118343614
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-[(4-ethenylphenyl)methyl]-3-(ethylideneamino)-N-methylpropan-1-amine
SMILESC=Cc1ccc(CN(C)CCC/N=C/C)cc1
InChIInChI=1S/C15H22N2/c1-4-14-7-9-15(10-8-14)13-17(3)12-6-11-16-5-2/h4-5,7-10H,1,6,11-13H2,2-3H3/b16-5+
InChIKeyLGMNZMVRVVRTRX-FZSIALSZSA-N
XLogP3.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethenylphenyl)methyl]-N,2-dimethylpropan-1-amine
CID 144849725
1-[(4-ethenylphenyl)methyl]-1-methylurea
CID 91376596
2-[2-[(4-ethenylphenyl)methyl-methylamino]ethyl]pentanedioic acid
CID 23174949
N-dodecyl-N-[(4-ethenylphenyl)methyl]dodecan-1-amine
CID 14420666
N-[(4-ethenylphenyl)methyl]-N-nonylnonan-1-amine
CID 14420661
17-(4-ethenylphenyl)-N,N-dimethylheptadecan-1-amine
CID 178066852
N'-[(4-aminophenyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 23507168
N-[(4-ethenylphenyl)methyl]-N-(2-hydroxyethyl)acetamide;methane
CID 159473718
1-N-[(4-ethenylphenyl)methyl]-1-N-methyl-2-N,2-N,3-N,3-N-tetra(propan-2-yl)cyclopropane-1,2,3-triamine
CID 118177631
N-[(4-ethenylphenyl)methyl]-N-methylpyrrolidin-1-amine
CID 174723675
N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 138737865
N-methyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pent-4-en-1-amine
CID 105348315

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethenylphenyl)methyl]-3-(ethylideneamino)-N-methylpropan-1-amine?
The IUPAC name of N-[(4-ethenylphenyl)methyl]-3-(ethylideneamino)-N-methylpropan-1-amine (CID 118343614) is N-[(4-ethenylphenyl)methyl]-3-(ethylideneamino)-N-methylpropan-1-amine.
What is the SMILES notation for N-[(4-ethenylphenyl)methyl]-3-(ethylideneamino)-N-methylpropan-1-amine?
The canonical SMILES for N-[(4-ethenylphenyl)methyl]-3-(ethylideneamino)-N-methylpropan-1-amine is C=Cc1ccc(CN(C)CCC/N=C/C)cc1.
What is the InChIKey of N-[(4-ethenylphenyl)methyl]-3-(ethylideneamino)-N-methylpropan-1-amine?
The InChIKey is LGMNZMVRVVRTRX-FZSIALSZSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-14-7-9-15(10-8-14)13-17(3)12-6-11-16-5-2/h4-5,7-10H,1,6,11-13H2,2-3H3/b16-5+.
What are the key properties of N-[(4-ethenylphenyl)methyl]-3-(ethylideneamino)-N-methylpropan-1-amine?
N-[(4-ethenylphenyl)methyl]-3-(ethylideneamino)-N-methylpropan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethenylphenyl)methyl]-3-(ethylideneamino)-N-methylpropan-1-amine is sourced from PubChem (CID 118343614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).