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

C13H19N — CID 39238179

IUPAC(E)-4-(4-propan-2-ylphenyl)but-3-en-1-amine
SMILESCC(C)c1ccc(/C=C/CCN)cc1
InChIInChI=1S/C13H19N/c1-11(2)13-8-6-12(7-9-13)5-3-4-10-14/h3,5-9,11H,4,10,14H2,1-2H3/b5-3+
InChIKeyYIHONOBBHAKNSR-HWKANZROSA-N
MW189.30 g/mol
LogP3.17
Rot. Bonds4

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

(E)-4-(4-propan-2-ylphenyl)but-3-en-1-amine (PubChem CID 39238179) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (E)-4-(4-propan-2-ylphenyl)but-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(4-propan-2-ylphenyl)but-3-en-1-amine
PubChem CID39238179
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(E)-4-(4-propan-2-ylphenyl)but-3-en-1-amine
SMILESCC(C)c1ccc(/C=C/CCN)cc1
InChIInChI=1S/C13H19N/c1-11(2)13-8-6-12(7-9-13)5-3-4-10-14/h3,5-9,11H,4,10,14H2,1-2H3/b5-3+
InChIKeyYIHONOBBHAKNSR-HWKANZROSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-propan-2-ylphenyl)but-3-ene-1-thiol
CID 170478133
O-[(E)-4-(4-propan-2-ylphenyl)but-3-enyl]hydroxylamine
CID 95439106
N-ethyl-4-(4-propan-2-ylphenyl)but-3-en-1-amine
CID 79592046
4-(4-fluorophenyl)but-3-en-1-amine
CID 56986139
4-(4-aminobut-1-enyl)benzaldehyde
CID 170486569
4-(4-propan-2-ylphenyl)but-3-enamide
CID 170797717
1-chloro-4-[4-(4-propan-2-ylphenyl)buta-1,3-dienyl]benzene
CID 72540254
1-(2-phenylethenyl)-4-propan-2-ylbenzene
CID 53397765
1-methyl-4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]pyridin-1-ium
CID 129309736
(E)-3-[4-(4-aminobut-1-enyl)phenyl]prop-2-enoic acid
CID 170487446
4-(6-chloro-3-pyridinyl)but-3-en-1-amine
CID 170486456
(E)-3-(4-butan-2-ylphenyl)prop-2-en-1-amine
CID 82281241

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-propan-2-ylphenyl)but-3-en-1-amine?
The IUPAC name of (E)-4-(4-propan-2-ylphenyl)but-3-en-1-amine (CID 39238179) is (E)-4-(4-propan-2-ylphenyl)but-3-en-1-amine.
What is the SMILES notation for (E)-4-(4-propan-2-ylphenyl)but-3-en-1-amine?
The canonical SMILES for (E)-4-(4-propan-2-ylphenyl)but-3-en-1-amine is CC(C)c1ccc(/C=C/CCN)cc1.
What is the InChIKey of (E)-4-(4-propan-2-ylphenyl)but-3-en-1-amine?
The InChIKey is YIHONOBBHAKNSR-HWKANZROSA-N. The full InChI is InChI=1S/C13H19N/c1-11(2)13-8-6-12(7-9-13)5-3-4-10-14/h3,5-9,11H,4,10,14H2,1-2H3/b5-3+.
What are the key properties of (E)-4-(4-propan-2-ylphenyl)but-3-en-1-amine?
(E)-4-(4-propan-2-ylphenyl)but-3-en-1-amine has a molecular weight of 189.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-propan-2-ylphenyl)but-3-en-1-amine is sourced from PubChem (CID 39238179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).