(3E,5Z)-N,N-dimethylocta-1,3,5,7-tetraen-3-amine

C10H15N — CID 170211366

IUPAC(3E,5Z)-N,N-dimethylocta-1,3,5,7-tetraen-3-amine
SMILESC=C/C=C\C=C(/C=C)N(C)C
InChIInChI=1S/C10H15N/c1-5-7-8-9-10(6-2)11(3)4/h5-9H,1-2H2,3-4H3/b8-7-,10-9+
InChIKeyIDRALJMUIWKOPF-UQGDGPGGSA-N
MW149.24 g/mol
LogP2.36
Rot. Bonds4

About (3E,5Z)-N,N-dimethylocta-1,3,5,7-tetraen-3-amine

(3E,5Z)-N,N-dimethylocta-1,3,5,7-tetraen-3-amine (PubChem CID 170211366) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (3E,5Z)-N,N-dimethylocta-1,3,5,7-tetraen-3-amine.

Molecular Properties

Compound Name(3E,5Z)-N,N-dimethylocta-1,3,5,7-tetraen-3-amine
PubChem CID170211366
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(3E,5Z)-N,N-dimethylocta-1,3,5,7-tetraen-3-amine
SMILESC=C/C=C\C=C(/C=C)N(C)C
InChIInChI=1S/C10H15N/c1-5-7-8-9-10(6-2)11(3)4/h5-9H,1-2H2,3-4H3/b8-7-,10-9+
InChIKeyIDRALJMUIWKOPF-UQGDGPGGSA-N
XLogP2.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,5E)-N,N-dimethyl-7-nitrosohepta-1,3,5-trien-3-amine
CID 135293917
(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 15379303
(2E,4E)-hepta-2,4,6-trien-2-ol
CID 173388700
N,N-dimethylhepta-1,3,5-trien-4-amine
CID 72511358
(3E,5Z)-3-ethenylocta-3,5,7-trien-2-one
CID 129142506
6-bromohepta-1,3,5-triene
CID 123654102
(3E,5E,7E,9Z)-6,7-bis(ethenyl)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]undeca-1,3,5,7,9-pentaen-3-amine
CID 146531240
(2Z,4E,6Z,8Z)-3,4-dimethylundeca-2,4,6,8,10-pentaen-2-amine
CID 167289416
(3E,5Z)-N-methyl-N-(methylsulfanylmethyl)hepta-1,3,5-trien-3-amine
CID 144526916
ethane;ethene;(3E)-hexa-1,3,5-triene
CID 91058254
6-methoxyhepta-1,3,5-triene
CID 90882924
(2E,4Z)-2-ethenylhepta-2,4,6-trienoic acid
CID 129259251

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N,N-dimethylocta-1,3,5,7-tetraen-3-amine?
The IUPAC name of (3E,5Z)-N,N-dimethylocta-1,3,5,7-tetraen-3-amine (CID 170211366) is (3E,5Z)-N,N-dimethylocta-1,3,5,7-tetraen-3-amine.
What is the SMILES notation for (3E,5Z)-N,N-dimethylocta-1,3,5,7-tetraen-3-amine?
The canonical SMILES for (3E,5Z)-N,N-dimethylocta-1,3,5,7-tetraen-3-amine is C=C/C=C\C=C(/C=C)N(C)C.
What is the InChIKey of (3E,5Z)-N,N-dimethylocta-1,3,5,7-tetraen-3-amine?
The InChIKey is IDRALJMUIWKOPF-UQGDGPGGSA-N. The full InChI is InChI=1S/C10H15N/c1-5-7-8-9-10(6-2)11(3)4/h5-9H,1-2H2,3-4H3/b8-7-,10-9+.
What are the key properties of (3E,5Z)-N,N-dimethylocta-1,3,5,7-tetraen-3-amine?
(3E,5Z)-N,N-dimethylocta-1,3,5,7-tetraen-3-amine has a molecular weight of 149.24 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N,N-dimethylocta-1,3,5,7-tetraen-3-amine is sourced from PubChem (CID 170211366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).