(5E,7Z)-5-ethenyl-2,4,4-trimethyldeca-5,7,9-trien-2-amine

C15H25N — CID 138630940

IUPAC(5E,7Z)-5-ethenyl-2,4,4-trimethyldeca-5,7,9-trien-2-amine
SMILESC=C/C=C\C=C(/C=C)C(C)(C)CC(C)(C)N
InChIInChI=1S/C15H25N/c1-7-9-10-11-13(8-2)14(3,4)12-15(5,6)16/h7-11H,1-2,12,16H2,3-6H3/b10-9-,13-11+
InChIKeyOAEJCQACLDNREI-AZQRDTPRSA-N
MW219.37 g/mol
LogP3.99
Rot. Bonds6

About (5E,7Z)-5-ethenyl-2,4,4-trimethyldeca-5,7,9-trien-2-amine

(5E,7Z)-5-ethenyl-2,4,4-trimethyldeca-5,7,9-trien-2-amine (PubChem CID 138630940) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (5E,7Z)-5-ethenyl-2,4,4-trimethyldeca-5,7,9-trien-2-amine.

Molecular Properties

Compound Name(5E,7Z)-5-ethenyl-2,4,4-trimethyldeca-5,7,9-trien-2-amine
PubChem CID138630940
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(5E,7Z)-5-ethenyl-2,4,4-trimethyldeca-5,7,9-trien-2-amine
SMILESC=C/C=C\C=C(/C=C)C(C)(C)CC(C)(C)N
InChIInChI=1S/C15H25N/c1-7-9-10-11-13(8-2)14(3,4)12-15(5,6)16/h7-11H,1-2,12,16H2,3-6H3/b10-9-,13-11+
InChIKeyOAEJCQACLDNREI-AZQRDTPRSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.99
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

2-[[(3E,5E)-3-ethenyl-2-methylocta-3,5,7-trien-2-yl]oxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 129145664
ethane;ethene;[(5E)-5-ethenyl-2,4,4-trimethylocta-5,7-dien-2-yl] acetate
CID 143775190
(3Z,5Z)-3-methylocta-3,5,7-trien-1-amine
CID 89153979
(2E,4E)-hepta-2,4,6-trien-2-ol
CID 173388700
(3E,7Z)-5-amino-4-ethenyl-6-methylidenedeca-1,3,7,9-tetraen-5-ol
CID 129201664
ethane;(4E,6Z)-4-ethenyl-3,3-difluoro-2-methylocta-4,6-dien-2-ol
CID 164918182
(4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-amine
CID 155465991
(3Z,5Z)-7-butyl-7-methyltetradeca-1,3,5-trien-6-amine
CID 167179405
(3E,5Z)-N,N-dimethylocta-1,3,5,7-tetraen-3-amine
CID 170211366
2-methyl-5-methylidenehept-6-en-2-amine
CID 126489894
(3E,5Z)-3-ethenylocta-3,5,7-trien-2-one
CID 129142506
(2Z,4Z)-1-phosphanylhepta-2,4,6-trien-2-amine
CID 89368942

Frequently Asked Questions

What is the IUPAC name of (5E,7Z)-5-ethenyl-2,4,4-trimethyldeca-5,7,9-trien-2-amine?
The IUPAC name of (5E,7Z)-5-ethenyl-2,4,4-trimethyldeca-5,7,9-trien-2-amine (CID 138630940) is (5E,7Z)-5-ethenyl-2,4,4-trimethyldeca-5,7,9-trien-2-amine.
What is the SMILES notation for (5E,7Z)-5-ethenyl-2,4,4-trimethyldeca-5,7,9-trien-2-amine?
The canonical SMILES for (5E,7Z)-5-ethenyl-2,4,4-trimethyldeca-5,7,9-trien-2-amine is C=C/C=C\C=C(/C=C)C(C)(C)CC(C)(C)N.
What is the InChIKey of (5E,7Z)-5-ethenyl-2,4,4-trimethyldeca-5,7,9-trien-2-amine?
The InChIKey is OAEJCQACLDNREI-AZQRDTPRSA-N. The full InChI is InChI=1S/C15H25N/c1-7-9-10-11-13(8-2)14(3,4)12-15(5,6)16/h7-11H,1-2,12,16H2,3-6H3/b10-9-,13-11+.
What are the key properties of (5E,7Z)-5-ethenyl-2,4,4-trimethyldeca-5,7,9-trien-2-amine?
(5E,7Z)-5-ethenyl-2,4,4-trimethyldeca-5,7,9-trien-2-amine has a molecular weight of 219.37 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7Z)-5-ethenyl-2,4,4-trimethyldeca-5,7,9-trien-2-amine is sourced from PubChem (CID 138630940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).