4-[4-(aminomethyl)phenyl]-N-methylbut-3-en-1-amine

C12H18N2 — CID 170495473

IUPAC4-[4-(aminomethyl)phenyl]-N-methylbut-3-en-1-amine
SMILESCNCCC=Cc1ccc(CN)cc1
InChIInChI=1S/C12H18N2/c1-14-9-3-2-4-11-5-7-12(10-13)8-6-11/h2,4-8,14H,3,9-10,13H2,1H3
InChIKeyCYOMZGGUPXQFKG-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.77
Rot. Bonds5

About 4-[4-(aminomethyl)phenyl]-N-methylbut-3-en-1-amine

4-[4-(aminomethyl)phenyl]-N-methylbut-3-en-1-amine (PubChem CID 170495473) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-[4-(aminomethyl)phenyl]-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name4-[4-(aminomethyl)phenyl]-N-methylbut-3-en-1-amine
PubChem CID170495473
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-[4-(aminomethyl)phenyl]-N-methylbut-3-en-1-amine
SMILESCNCCC=Cc1ccc(CN)cc1
InChIInChI=1S/C12H18N2/c1-14-9-3-2-4-11-5-7-12(10-13)8-6-11/h2,4-8,14H,3,9-10,13H2,1H3
InChIKeyCYOMZGGUPXQFKG-UHFFFAOYSA-N
XLogP1.77
TPSA38.05 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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-4-(methylamino)but-1-enyl]phenol
CID 117268085
(E)-3-[4-[4-(methylamino)but-1-enyl]phenyl]prop-2-enal
CID 170496048
4-(4-ethoxyphenyl)-N-methylbut-3-en-1-amine
CID 79593374
[4-(3-chloroprop-1-enyl)phenyl]methanamine
CID 169477052
ethyl 4-[4-(methylamino)but-1-enyl]benzoate
CID 170496854
N-methyl-4-(6-methyl-3-pyridinyl)but-3-en-1-amine
CID 54149645
5-[4-(methylamino)but-1-enyl]pyrimidin-2-amine
CID 170495291
1-[4-[4-(methylamino)but-1-enyl]phenyl]pyrrole-2,5-dione
CID 170496696
(E)-N-methyl-4-(3-propylphenyl)but-3-en-1-amine
CID 116546325
tert-butyl 4-[4-(methylamino)but-1-enyl]benzoate
CID 170496655
3-[4-(methylamino)but-1-enyl]benzenecarbothioamide
CID 170495747
2-amino-5-[4-(methylamino)but-1-enyl]benzonitrile
CID 170495703

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)phenyl]-N-methylbut-3-en-1-amine?
The IUPAC name of 4-[4-(aminomethyl)phenyl]-N-methylbut-3-en-1-amine (CID 170495473) is 4-[4-(aminomethyl)phenyl]-N-methylbut-3-en-1-amine.
What is the SMILES notation for 4-[4-(aminomethyl)phenyl]-N-methylbut-3-en-1-amine?
The canonical SMILES for 4-[4-(aminomethyl)phenyl]-N-methylbut-3-en-1-amine is CNCCC=Cc1ccc(CN)cc1.
What is the InChIKey of 4-[4-(aminomethyl)phenyl]-N-methylbut-3-en-1-amine?
The InChIKey is CYOMZGGUPXQFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-14-9-3-2-4-11-5-7-12(10-13)8-6-11/h2,4-8,14H,3,9-10,13H2,1H3.
What are the key properties of 4-[4-(aminomethyl)phenyl]-N-methylbut-3-en-1-amine?
4-[4-(aminomethyl)phenyl]-N-methylbut-3-en-1-amine has a molecular weight of 190.29 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)phenyl]-N-methylbut-3-en-1-amine is sourced from PubChem (CID 170495473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).