(E)-2-phenyl-N-propan-2-ylbut-1-en-1-amine

C13H19N — CID 134526752

IUPAC(E)-2-phenyl-N-propan-2-ylbut-1-en-1-amine
SMILESCC/C(=C\NC(C)C)c1ccccc1
InChIInChI=1S/C13H19N/c1-4-12(10-14-11(2)3)13-8-6-5-7-9-13/h5-11,14H,4H2,1-3H3/b12-10+
InChIKeyHJGZBZVFEJEQEU-ZRDIBKRKSA-N
MW189.30 g/mol
LogP3.44
Rot. Bonds4

About (E)-2-phenyl-N-propan-2-ylbut-1-en-1-amine

(E)-2-phenyl-N-propan-2-ylbut-1-en-1-amine (PubChem CID 134526752) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (E)-2-phenyl-N-propan-2-ylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-phenyl-N-propan-2-ylbut-1-en-1-amine
PubChem CID134526752
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(E)-2-phenyl-N-propan-2-ylbut-1-en-1-amine
SMILESCC/C(=C\NC(C)C)c1ccccc1
InChIInChI=1S/C13H19N/c1-4-12(10-14-11(2)3)13-8-6-5-7-9-13/h5-11,14H,4H2,1-3H3/b12-10+
InChIKeyHJGZBZVFEJEQEU-ZRDIBKRKSA-N
XLogP3.44
TPSA12.03 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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 134933163
(Z)-2-phenylbut-1-en-1-amine
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(E)-N-[(2S)-1-hydroxypropan-2-yl]-3-phenylpent-2-enamide
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[(3E)-5-fluorohepta-3,5-dien-3-yl]benzene
CID 155725923
(Z)-3-phenylpent-2-en-1-amine
CID 63968007
2-[(Z)-2-phenylbut-1-enyl]phenol
CID 11031503
(5-benzylidene-6-methylhept-3-en-3-yl)benzene
CID 173457168
(E)-1-phenyl-3-(propan-2-ylamino)prop-2-en-1-one
CID 23591207
5-methylhepta-3,5-dien-3-ylbenzene
CID 123274191
[(Z)-1-deuterio-1-phenylbut-1-en-2-yl]benzene
CID 102446167
(E)-N-methyl-3-phenylpent-2-en-1-imine
CID 177407288

Frequently Asked Questions

What is the IUPAC name of (E)-2-phenyl-N-propan-2-ylbut-1-en-1-amine?
The IUPAC name of (E)-2-phenyl-N-propan-2-ylbut-1-en-1-amine (CID 134526752) is (E)-2-phenyl-N-propan-2-ylbut-1-en-1-amine.
What is the SMILES notation for (E)-2-phenyl-N-propan-2-ylbut-1-en-1-amine?
The canonical SMILES for (E)-2-phenyl-N-propan-2-ylbut-1-en-1-amine is CC/C(=C\NC(C)C)c1ccccc1.
What is the InChIKey of (E)-2-phenyl-N-propan-2-ylbut-1-en-1-amine?
The InChIKey is HJGZBZVFEJEQEU-ZRDIBKRKSA-N. The full InChI is InChI=1S/C13H19N/c1-4-12(10-14-11(2)3)13-8-6-5-7-9-13/h5-11,14H,4H2,1-3H3/b12-10+.
What are the key properties of (E)-2-phenyl-N-propan-2-ylbut-1-en-1-amine?
(E)-2-phenyl-N-propan-2-ylbut-1-en-1-amine has a molecular weight of 189.30 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenyl-N-propan-2-ylbut-1-en-1-amine is sourced from PubChem (CID 134526752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).