(1Z,3E)-3-tert-butyl-1-phenylhepta-1,3-dien-1-amine

C17H25N — CID 145094383

IUPAC(1Z,3E)-3-tert-butyl-1-phenylhepta-1,3-dien-1-amine
SMILESCCC/C=C(\C=C(/N)c1ccccc1)C(C)(C)C
InChIInChI=1S/C17H25N/c1-5-6-12-15(17(2,3)4)13-16(18)14-10-8-7-9-11-14/h7-13H,5-6,18H2,1-4H3/b15-12+,16-13-
InChIKeyAOLVKGRYRZMYEP-SWPSDAPNSA-N
MW243.39 g/mol
LogP4.76
Rot. Bonds4

About (1Z,3E)-3-tert-butyl-1-phenylhepta-1,3-dien-1-amine

(1Z,3E)-3-tert-butyl-1-phenylhepta-1,3-dien-1-amine (PubChem CID 145094383) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (1Z,3E)-3-tert-butyl-1-phenylhepta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-3-tert-butyl-1-phenylhepta-1,3-dien-1-amine
PubChem CID145094383
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(1Z,3E)-3-tert-butyl-1-phenylhepta-1,3-dien-1-amine
SMILESCCC/C=C(\C=C(/N)c1ccccc1)C(C)(C)C
InChIInChI=1S/C17H25N/c1-5-6-12-15(17(2,3)4)13-16(18)14-10-8-7-9-11-14/h7-13H,5-6,18H2,1-4H3/b15-12+,16-13-
InChIKeyAOLVKGRYRZMYEP-SWPSDAPNSA-N
XLogP4.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.76
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 (1Z,3E)-3-tert-butyl-1-phenylhepta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-3-tert-butyl-1-phenylhepta-1,3-dien-1-amine (CID 145094383) is (1Z,3E)-3-tert-butyl-1-phenylhepta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-3-tert-butyl-1-phenylhepta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-3-tert-butyl-1-phenylhepta-1,3-dien-1-amine is CCC/C=C(\C=C(/N)c1ccccc1)C(C)(C)C.
What is the InChIKey of (1Z,3E)-3-tert-butyl-1-phenylhepta-1,3-dien-1-amine?
The InChIKey is AOLVKGRYRZMYEP-SWPSDAPNSA-N. The full InChI is InChI=1S/C17H25N/c1-5-6-12-15(17(2,3)4)13-16(18)14-10-8-7-9-11-14/h7-13H,5-6,18H2,1-4H3/b15-12+,16-13-.
What are the key properties of (1Z,3E)-3-tert-butyl-1-phenylhepta-1,3-dien-1-amine?
(1Z,3E)-3-tert-butyl-1-phenylhepta-1,3-dien-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-tert-butyl-1-phenylhepta-1,3-dien-1-amine is sourced from PubChem (CID 145094383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).