(2Z,4Z,6E)-6-tert-butylocta-2,4,6-trien-2-amine

C12H21N — CID 126590897

IUPAC(2Z,4Z,6E)-6-tert-butylocta-2,4,6-trien-2-amine
SMILESC/C=C(\C=C/C=C(/C)N)C(C)(C)C
InChIInChI=1S/C12H21N/c1-6-11(12(3,4)5)9-7-8-10(2)13/h6-9H,13H2,1-5H3/b9-7-,10-8-,11-6+
InChIKeyUUUNXRDGJRXSDR-JFGTXHLYSA-N
MW179.31 g/mol
LogP3.40
Rot. Bonds2

About (2Z,4Z,6E)-6-tert-butylocta-2,4,6-trien-2-amine

(2Z,4Z,6E)-6-tert-butylocta-2,4,6-trien-2-amine (PubChem CID 126590897) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (2Z,4Z,6E)-6-tert-butylocta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2Z,4Z,6E)-6-tert-butylocta-2,4,6-trien-2-amine
PubChem CID126590897
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(2Z,4Z,6E)-6-tert-butylocta-2,4,6-trien-2-amine
SMILESC/C=C(\C=C/C=C(/C)N)C(C)(C)C
InChIInChI=1S/C12H21N/c1-6-11(12(3,4)5)9-7-8-10(2)13/h6-9H,13H2,1-5H3/b9-7-,10-8-,11-6+
InChIKeyUUUNXRDGJRXSDR-JFGTXHLYSA-N
XLogP3.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3Z,5E)-5-tert-butylhepta-1,3,5-trien-1-amine
CID 138751856
(2Z,4E)-4-tert-butyl-N-methylhexa-2,4-dien-1-imine
CID 167182965
[(2Z,4E)-4-tert-butylhexa-2,4-dienyl]urea
CID 171540295
(3E)-5-tert-butyl-2-methylhepta-1,3,5-trien-3-amine
CID 143941928
(2Z,4Z)-7-methyl-6-methylideneocta-2,4-dien-2-amine
CID 90277185
3-tert-butyl-6-methyldeca-2,4,6,7-tetraene
CID 123641549
(2E,4Z)-5-(methylideneamino)penta-2,4-dien-2-amine
CID 89331751
(E)-N'-[(1Z,3E)-3-tert-butylpenta-1,3-dienyl]-3-(2,2-dimethylpropylsulfanyl)prop-2-enimidamide
CID 126513947
(2E,4Z)-3-tert-butyl-5-methylhepta-2,4-diene
CID 177352522
[(3E)-3-tert-butylpenta-1,3-dienyl]benzene
CID 144969758
3,3-dimethylbut-1-en-2-amine
CID 15393104
(2Z,4Z)-7-methylocta-2,4-dien-2-amine
CID 155315035

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6E)-6-tert-butylocta-2,4,6-trien-2-amine?
The IUPAC name of (2Z,4Z,6E)-6-tert-butylocta-2,4,6-trien-2-amine (CID 126590897) is (2Z,4Z,6E)-6-tert-butylocta-2,4,6-trien-2-amine.
What is the SMILES notation for (2Z,4Z,6E)-6-tert-butylocta-2,4,6-trien-2-amine?
The canonical SMILES for (2Z,4Z,6E)-6-tert-butylocta-2,4,6-trien-2-amine is C/C=C(\C=C/C=C(/C)N)C(C)(C)C.
What is the InChIKey of (2Z,4Z,6E)-6-tert-butylocta-2,4,6-trien-2-amine?
The InChIKey is UUUNXRDGJRXSDR-JFGTXHLYSA-N. The full InChI is InChI=1S/C12H21N/c1-6-11(12(3,4)5)9-7-8-10(2)13/h6-9H,13H2,1-5H3/b9-7-,10-8-,11-6+.
What are the key properties of (2Z,4Z,6E)-6-tert-butylocta-2,4,6-trien-2-amine?
(2Z,4Z,6E)-6-tert-butylocta-2,4,6-trien-2-amine has a molecular weight of 179.31 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6E)-6-tert-butylocta-2,4,6-trien-2-amine is sourced from PubChem (CID 126590897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).