(1E)-2-(4-methyl-3-propylphenyl)buta-1,3-dien-1-amine

C14H19N — CID 145091561

IUPAC(1E)-2-(4-methyl-3-propylphenyl)buta-1,3-dien-1-amine
SMILESC=C/C(=C\N)c1ccc(C)c(CCC)c1
InChIInChI=1S/C14H19N/c1-4-6-13-9-14(8-7-11(13)3)12(5-2)10-15/h5,7-10H,2,4,6,15H2,1,3H3/b12-10+
InChIKeyWBDLWXDPVOWOON-ZRDIBKRKSA-N
MW201.31 g/mol
LogP3.43
Rot. Bonds4

About (1E)-2-(4-methyl-3-propylphenyl)buta-1,3-dien-1-amine

(1E)-2-(4-methyl-3-propylphenyl)buta-1,3-dien-1-amine (PubChem CID 145091561) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (1E)-2-(4-methyl-3-propylphenyl)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-2-(4-methyl-3-propylphenyl)buta-1,3-dien-1-amine
PubChem CID145091561
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(1E)-2-(4-methyl-3-propylphenyl)buta-1,3-dien-1-amine
SMILESC=C/C(=C\N)c1ccc(C)c(CCC)c1
InChIInChI=1S/C14H19N/c1-4-6-13-9-14(8-7-11(13)3)12(5-2)10-15/h5,7-10H,2,4,6,15H2,1,3H3/b12-10+
InChIKeyWBDLWXDPVOWOON-ZRDIBKRKSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-2-(4-methyl-3-propylphenyl)buta-1,3-dien-1-amine?
The IUPAC name of (1E)-2-(4-methyl-3-propylphenyl)buta-1,3-dien-1-amine (CID 145091561) is (1E)-2-(4-methyl-3-propylphenyl)buta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-2-(4-methyl-3-propylphenyl)buta-1,3-dien-1-amine?
The canonical SMILES for (1E)-2-(4-methyl-3-propylphenyl)buta-1,3-dien-1-amine is C=C/C(=C\N)c1ccc(C)c(CCC)c1.
What is the InChIKey of (1E)-2-(4-methyl-3-propylphenyl)buta-1,3-dien-1-amine?
The InChIKey is WBDLWXDPVOWOON-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H19N/c1-4-6-13-9-14(8-7-11(13)3)12(5-2)10-15/h5,7-10H,2,4,6,15H2,1,3H3/b12-10+.
What are the key properties of (1E)-2-(4-methyl-3-propylphenyl)buta-1,3-dien-1-amine?
(1E)-2-(4-methyl-3-propylphenyl)buta-1,3-dien-1-amine has a molecular weight of 201.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-(4-methyl-3-propylphenyl)buta-1,3-dien-1-amine is sourced from PubChem (CID 145091561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).