(3E,4Z)-2-(2,2-dimethylpropyl)-3-ethylidenehepta-4,6-dien-1-amine

C14H25N — CID 126671380

IUPAC(3E,4Z)-2-(2,2-dimethylpropyl)-3-ethylidenehepta-4,6-dien-1-amine
SMILESC=C/C=C\C(=C/C)C(CN)CC(C)(C)C
InChIInChI=1S/C14H25N/c1-6-8-9-12(7-2)13(11-15)10-14(3,4)5/h6-9,13H,1,10-11,15H2,2-5H3/b9-8-,12-7+
InChIKeyDUFZKZZEEAQUBM-ZHCAKQDLSA-N
MW207.36 g/mol
LogP3.69
Rot. Bonds5

About (3E,4Z)-2-(2,2-dimethylpropyl)-3-ethylidenehepta-4,6-dien-1-amine

(3E,4Z)-2-(2,2-dimethylpropyl)-3-ethylidenehepta-4,6-dien-1-amine (PubChem CID 126671380) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (3E,4Z)-2-(2,2-dimethylpropyl)-3-ethylidenehepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(3E,4Z)-2-(2,2-dimethylpropyl)-3-ethylidenehepta-4,6-dien-1-amine
PubChem CID126671380
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(3E,4Z)-2-(2,2-dimethylpropyl)-3-ethylidenehepta-4,6-dien-1-amine
SMILESC=C/C=C\C(=C/C)C(CN)CC(C)(C)C
InChIInChI=1S/C14H25N/c1-6-8-9-12(7-2)13(11-15)10-14(3,4)5/h6-9,13H,1,10-11,15H2,2-5H3/b9-8-,12-7+
InChIKeyDUFZKZZEEAQUBM-ZHCAKQDLSA-N
XLogP3.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.69
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 (3E,4Z)-2-(2,2-dimethylpropyl)-3-ethylidenehepta-4,6-dien-1-amine?
The IUPAC name of (3E,4Z)-2-(2,2-dimethylpropyl)-3-ethylidenehepta-4,6-dien-1-amine (CID 126671380) is (3E,4Z)-2-(2,2-dimethylpropyl)-3-ethylidenehepta-4,6-dien-1-amine.
What is the SMILES notation for (3E,4Z)-2-(2,2-dimethylpropyl)-3-ethylidenehepta-4,6-dien-1-amine?
The canonical SMILES for (3E,4Z)-2-(2,2-dimethylpropyl)-3-ethylidenehepta-4,6-dien-1-amine is C=C/C=C\C(=C/C)C(CN)CC(C)(C)C.
What is the InChIKey of (3E,4Z)-2-(2,2-dimethylpropyl)-3-ethylidenehepta-4,6-dien-1-amine?
The InChIKey is DUFZKZZEEAQUBM-ZHCAKQDLSA-N. The full InChI is InChI=1S/C14H25N/c1-6-8-9-12(7-2)13(11-15)10-14(3,4)5/h6-9,13H,1,10-11,15H2,2-5H3/b9-8-,12-7+.
What are the key properties of (3E,4Z)-2-(2,2-dimethylpropyl)-3-ethylidenehepta-4,6-dien-1-amine?
(3E,4Z)-2-(2,2-dimethylpropyl)-3-ethylidenehepta-4,6-dien-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-2-(2,2-dimethylpropyl)-3-ethylidenehepta-4,6-dien-1-amine is sourced from PubChem (CID 126671380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).