N-buta-1,3-dien-2-yl-N-[1-(2-ethenylphenyl)ethyl]butan-2-amine

C18H25N — CID 123991491

IUPACN-buta-1,3-dien-2-yl-N-[1-(2-ethenylphenyl)ethyl]butan-2-amine
SMILESC=CC(=C)N(C(C)CC)C(C)c1ccccc1C=C
InChIInChI=1S/C18H25N/c1-7-14(4)19(15(5)8-2)16(6)18-13-11-10-12-17(18)9-3/h7,9-13,15-16H,1,3-4,8H2,2,5-6H3
InChIKeyFUNUWJBNIAMXJT-UHFFFAOYSA-N
MW255.40 g/mol
LogP5.19
Rot. Bonds7

About N-buta-1,3-dien-2-yl-N-[1-(2-ethenylphenyl)ethyl]butan-2-amine

N-buta-1,3-dien-2-yl-N-[1-(2-ethenylphenyl)ethyl]butan-2-amine (PubChem CID 123991491) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is N-buta-1,3-dien-2-yl-N-[1-(2-ethenylphenyl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-buta-1,3-dien-2-yl-N-[1-(2-ethenylphenyl)ethyl]butan-2-amine
PubChem CID123991491
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC NameN-buta-1,3-dien-2-yl-N-[1-(2-ethenylphenyl)ethyl]butan-2-amine
SMILESC=CC(=C)N(C(C)CC)C(C)c1ccccc1C=C
InChIInChI=1S/C18H25N/c1-7-14(4)19(15(5)8-2)16(6)18-13-11-10-12-17(18)9-3/h7,9-13,15-16H,1,3-4,8H2,2,5-6H3
InChIKeyFUNUWJBNIAMXJT-UHFFFAOYSA-N
XLogP5.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.40
LogP ≤ 55.19
H-Bond Donors ≤ 50
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 N-buta-1,3-dien-2-yl-N-[1-(2-ethenylphenyl)ethyl]butan-2-amine?
The IUPAC name of N-buta-1,3-dien-2-yl-N-[1-(2-ethenylphenyl)ethyl]butan-2-amine (CID 123991491) is N-buta-1,3-dien-2-yl-N-[1-(2-ethenylphenyl)ethyl]butan-2-amine.
What is the SMILES notation for N-buta-1,3-dien-2-yl-N-[1-(2-ethenylphenyl)ethyl]butan-2-amine?
The canonical SMILES for N-buta-1,3-dien-2-yl-N-[1-(2-ethenylphenyl)ethyl]butan-2-amine is C=CC(=C)N(C(C)CC)C(C)c1ccccc1C=C.
What is the InChIKey of N-buta-1,3-dien-2-yl-N-[1-(2-ethenylphenyl)ethyl]butan-2-amine?
The InChIKey is FUNUWJBNIAMXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-7-14(4)19(15(5)8-2)16(6)18-13-11-10-12-17(18)9-3/h7,9-13,15-16H,1,3-4,8H2,2,5-6H3.
What are the key properties of N-buta-1,3-dien-2-yl-N-[1-(2-ethenylphenyl)ethyl]butan-2-amine?
N-buta-1,3-dien-2-yl-N-[1-(2-ethenylphenyl)ethyl]butan-2-amine has a molecular weight of 255.40 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-1,3-dien-2-yl-N-[1-(2-ethenylphenyl)ethyl]butan-2-amine is sourced from PubChem (CID 123991491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).