N-[(4-ethenylphenyl)methyl]-N-methylpyrrolidin-1-amine

C14H20N2 — CID 174723675

IUPACN-[(4-ethenylphenyl)methyl]-N-methylpyrrolidin-1-amine
SMILESC=Cc1ccc(CN(C)N2CCCC2)cc1
InChIInChI=1S/C14H20N2/c1-3-13-6-8-14(9-7-13)12-15(2)16-10-4-5-11-16/h3,6-9H,1,4-5,10-12H2,2H3
InChIKeyNCYLMVCMJGWSQZ-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.77
Rot. Bonds4

About N-[(4-ethenylphenyl)methyl]-N-methylpyrrolidin-1-amine

N-[(4-ethenylphenyl)methyl]-N-methylpyrrolidin-1-amine (PubChem CID 174723675) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-[(4-ethenylphenyl)methyl]-N-methylpyrrolidin-1-amine.

Molecular Properties

Compound NameN-[(4-ethenylphenyl)methyl]-N-methylpyrrolidin-1-amine
PubChem CID174723675
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-[(4-ethenylphenyl)methyl]-N-methylpyrrolidin-1-amine
SMILESC=Cc1ccc(CN(C)N2CCCC2)cc1
InChIInChI=1S/C14H20N2/c1-3-13-6-8-14(9-7-13)12-15(2)16-10-4-5-11-16/h3,6-9H,1,4-5,10-12H2,2H3
InChIKeyNCYLMVCMJGWSQZ-UHFFFAOYSA-N
XLogP2.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethenylphenyl)methyl]-N,2-dimethylpropan-1-amine
CID 144849725
1-[(4-ethenylphenyl)methyl]-1-methylurea
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CID 118177631
1-[2-(4-ethenylphenyl)ethyl]azetidine
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1,4-bis[(4-ethenylphenyl)methyl]benzene
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1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene
CID 163649628
1-[(4-ethenylphenyl)methyl]-4-methyl-1,4-diazepane
CID 166880014
2-[2-(4-ethenylphenyl)ethyl]-1-methylaziridine
CID 87132596
N,N-bis[tert-butyl(dimethyl)silyl]-1-(4-ethenylphenyl)methanamine
CID 66742780
N,N-bis[(4-ethenylphenyl)methyl]aniline
CID 86166362
1-[(4-ethenylphenyl)methyl]-3-methyl-5,6-dihydro-4H-pyrimidin-3-ium
CID 102504619
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CID 89299852

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethenylphenyl)methyl]-N-methylpyrrolidin-1-amine?
The IUPAC name of N-[(4-ethenylphenyl)methyl]-N-methylpyrrolidin-1-amine (CID 174723675) is N-[(4-ethenylphenyl)methyl]-N-methylpyrrolidin-1-amine.
What is the SMILES notation for N-[(4-ethenylphenyl)methyl]-N-methylpyrrolidin-1-amine?
The canonical SMILES for N-[(4-ethenylphenyl)methyl]-N-methylpyrrolidin-1-amine is C=Cc1ccc(CN(C)N2CCCC2)cc1.
What is the InChIKey of N-[(4-ethenylphenyl)methyl]-N-methylpyrrolidin-1-amine?
The InChIKey is NCYLMVCMJGWSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-13-6-8-14(9-7-13)12-15(2)16-10-4-5-11-16/h3,6-9H,1,4-5,10-12H2,2H3.
What are the key properties of N-[(4-ethenylphenyl)methyl]-N-methylpyrrolidin-1-amine?
N-[(4-ethenylphenyl)methyl]-N-methylpyrrolidin-1-amine has a molecular weight of 216.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethenylphenyl)methyl]-N-methylpyrrolidin-1-amine is sourced from PubChem (CID 174723675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).