N-ethyl-4-(4-propan-2-ylphenyl)but-3-en-1-amine

C15H23N — CID 79592046

IUPACN-ethyl-4-(4-propan-2-ylphenyl)but-3-en-1-amine
SMILESCCNCCC=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H23N/c1-4-16-12-6-5-7-14-8-10-15(11-9-14)13(2)3/h5,7-11,13,16H,4,6,12H2,1-3H3
InChIKeyBMPZPVUHTISISK-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.82
Rot. Bonds6

About N-ethyl-4-(4-propan-2-ylphenyl)but-3-en-1-amine

N-ethyl-4-(4-propan-2-ylphenyl)but-3-en-1-amine (PubChem CID 79592046) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-ethyl-4-(4-propan-2-ylphenyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-propan-2-ylphenyl)but-3-en-1-amine
PubChem CID79592046
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-ethyl-4-(4-propan-2-ylphenyl)but-3-en-1-amine
SMILESCCNCCC=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H23N/c1-4-16-12-6-5-7-14-8-10-15(11-9-14)13(2)3/h5,7-11,13,16H,4,6,12H2,1-3H3
InChIKeyBMPZPVUHTISISK-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-propan-2-ylphenyl)but-3-ene-1-thiol
CID 170478133
(E)-4-(4-propan-2-ylphenyl)but-3-en-1-amine
CID 39238179
4-(3,4-dimethylphenyl)-N-ethylbut-3-en-1-amine
CID 79592282
O-[(E)-4-(4-propan-2-ylphenyl)but-3-enyl]hydroxylamine
CID 95439106
(E)-N-ethyl-4-(3-propylphenyl)but-3-en-1-amine
CID 116546326
4-(4-ethylphenyl)-N-propan-2-ylbut-3-en-1-amine
CID 79592990
2-[(E)-4-(ethylamino)but-1-enyl]-N-methylaniline
CID 135213041
N-ethyl-4-(5-methylthiophen-3-yl)but-3-en-1-amine
CID 79590562
N-[3-(4-propan-2-ylphenyl)prop-2-enyl]cyclopropanamine
CID 79348162
N-ethyl-2,2-difluoro-2-(4-propan-2-ylphenyl)ethanamine
CID 83108104
N,N-bis(4-propan-2-ylphenyl)-4-[(E)-2-[4-[(E)-2-[4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 22900193
N-ethyl-3-methyl-4-(4-propan-2-ylphenyl)butan-1-amine
CID 81019029

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-propan-2-ylphenyl)but-3-en-1-amine?
The IUPAC name of N-ethyl-4-(4-propan-2-ylphenyl)but-3-en-1-amine (CID 79592046) is N-ethyl-4-(4-propan-2-ylphenyl)but-3-en-1-amine.
What is the SMILES notation for N-ethyl-4-(4-propan-2-ylphenyl)but-3-en-1-amine?
The canonical SMILES for N-ethyl-4-(4-propan-2-ylphenyl)but-3-en-1-amine is CCNCCC=Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-ethyl-4-(4-propan-2-ylphenyl)but-3-en-1-amine?
The InChIKey is BMPZPVUHTISISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-16-12-6-5-7-14-8-10-15(11-9-14)13(2)3/h5,7-11,13,16H,4,6,12H2,1-3H3.
What are the key properties of N-ethyl-4-(4-propan-2-ylphenyl)but-3-en-1-amine?
N-ethyl-4-(4-propan-2-ylphenyl)but-3-en-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-propan-2-ylphenyl)but-3-en-1-amine is sourced from PubChem (CID 79592046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).