(E)-4-[3-(2-methylpropyl)phenyl]but-3-en-1-amine

C14H21N — CID 116546322

IUPAC(E)-4-[3-(2-methylpropyl)phenyl]but-3-en-1-amine
SMILESCC(C)Cc1cccc(/C=C/CCN)c1
InChIInChI=1S/C14H21N/c1-12(2)10-14-8-5-7-13(11-14)6-3-4-9-15/h3,5-8,11-12H,4,9-10,15H2,1-2H3/b6-3+
InChIKeyRLMQRHILFUMUJG-ZZXKWVIFSA-N
MW203.33 g/mol
LogP3.25
Rot. Bonds5

About (E)-4-[3-(2-methylpropyl)phenyl]but-3-en-1-amine

(E)-4-[3-(2-methylpropyl)phenyl]but-3-en-1-amine (PubChem CID 116546322) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (E)-4-[3-(2-methylpropyl)phenyl]but-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-[3-(2-methylpropyl)phenyl]but-3-en-1-amine
PubChem CID116546322
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(E)-4-[3-(2-methylpropyl)phenyl]but-3-en-1-amine
SMILESCC(C)Cc1cccc(/C=C/CCN)c1
InChIInChI=1S/C14H21N/c1-12(2)10-14-8-5-7-13(11-14)6-3-4-9-15/h3,5-8,11-12H,4,9-10,15H2,1-2H3/b6-3+
InChIKeyRLMQRHILFUMUJG-ZZXKWVIFSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[3-(2-methylpropyl)phenyl]but-3-en-1-amine?
The IUPAC name of (E)-4-[3-(2-methylpropyl)phenyl]but-3-en-1-amine (CID 116546322) is (E)-4-[3-(2-methylpropyl)phenyl]but-3-en-1-amine.
What is the SMILES notation for (E)-4-[3-(2-methylpropyl)phenyl]but-3-en-1-amine?
The canonical SMILES for (E)-4-[3-(2-methylpropyl)phenyl]but-3-en-1-amine is CC(C)Cc1cccc(/C=C/CCN)c1.
What is the InChIKey of (E)-4-[3-(2-methylpropyl)phenyl]but-3-en-1-amine?
The InChIKey is RLMQRHILFUMUJG-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H21N/c1-12(2)10-14-8-5-7-13(11-14)6-3-4-9-15/h3,5-8,11-12H,4,9-10,15H2,1-2H3/b6-3+.
What are the key properties of (E)-4-[3-(2-methylpropyl)phenyl]but-3-en-1-amine?
(E)-4-[3-(2-methylpropyl)phenyl]but-3-en-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[3-(2-methylpropyl)phenyl]but-3-en-1-amine is sourced from PubChem (CID 116546322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).