(2Z,4Z)-3,4-dimethylhexa-2,4-diene;N,2-dimethylprop-2-en-1-amine;(3Z,5Z)-4-methylhepta-1,3,5-triene;propane

C24H45N — CID 156721035

IUPAC(2Z,4Z)-3,4-dimethylhexa-2,4-diene;N,2-dimethylprop-2-en-1-amine;(3Z,5Z)-4-methylhepta-1,3,5-triene;propane
SMILESC/C=C(C)\C(C)=C/C.C=C(C)CNC.C=C/C=C(C)\C=C/C.CCC
InChIInChI=1S/C8H14.C8H12.C5H11N.C3H8/c1-5-7(3)8(4)6-2;1-4-6-8(3)7-5-2;1-5(2)4-6-3;1-3-2/h5-6H,1-4H3;4-7H,1H2,2-3H3;6H,1,4H2,2-3H3;3H2,1-2H3/b2*7-5-,8-6-;;
InChIKeyIYHJQLLTTJJUQE-UXQOAIAYSA-N
MW347.63 g/mol
LogP7.81
Rot. Bonds5

About (2Z,4Z)-3,4-dimethylhexa-2,4-diene;N,2-dimethylprop-2-en-1-amine;(3Z,5Z)-4-methylhepta-1,3,5-triene;propane

(2Z,4Z)-3,4-dimethylhexa-2,4-diene;N,2-dimethylprop-2-en-1-amine;(3Z,5Z)-4-methylhepta-1,3,5-triene;propane (PubChem CID 156721035) has the molecular formula C24H45N and a molecular weight of 347.63 g/mol. Its IUPAC name is (2Z,4Z)-3,4-dimethylhexa-2,4-diene;N,2-dimethylprop-2-en-1-amine;(3Z,5Z)-4-methylhepta-1,3,5-triene;propane.

Molecular Properties

Compound Name(2Z,4Z)-3,4-dimethylhexa-2,4-diene;N,2-dimethylprop-2-en-1-amine;(3Z,5Z)-4-methylhepta-1,3,5-triene;propane
PubChem CID156721035
Molecular FormulaC24H45N
Molecular Weight347.63 g/mol
Exact Mass347.36
IUPAC Name(2Z,4Z)-3,4-dimethylhexa-2,4-diene;N,2-dimethylprop-2-en-1-amine;(3Z,5Z)-4-methylhepta-1,3,5-triene;propane
SMILESC/C=C(C)\C(C)=C/C.C=C(C)CNC.C=C/C=C(C)\C=C/C.CCC
InChIInChI=1S/C8H14.C8H12.C5H11N.C3H8/c1-5-7(3)8(4)6-2;1-4-6-8(3)7-5-2;1-5(2)4-6-3;1-3-2/h5-6H,1-4H3;4-7H,1H2,2-3H3;6H,1,4H2,2-3H3;3H2,1-2H3/b2*7-5-,8-6-;;
InChIKeyIYHJQLLTTJJUQE-UXQOAIAYSA-N
XLogP7.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.63
LogP ≤ 57.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4Z)-3,4-dimethylhexa-2,4-diene;N,2-dimethylprop-2-en-1-amine;(3Z,5Z)-4-methylhepta-1,3,5-triene;propane with MolForge

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Launch Full Analysis

Related Compounds

ethane;methoxyethane;(3Z,5Z)-4-methylhepta-1,3,5-triene
CID 142066617
(3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane
CID 156821319
propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene
CID 143651334
(3Z,5Z,7E)-6-methylnona-1,3,5,7-tetraene
CID 144512529
(3Z)-4-methylocta-1,3,5-triene
CID 142968936
(2Z)-3-bromo-N,4-dimethyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
CID 90142129
butan-2-one;ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]formamide
CID 142225178
(2E,4E)-N,3-dimethylhexa-2,4-dien-1-amine
CID 55299916
(2E)-penta-2,4-dien-2-amine;propane
CID 143277472
3-methylhexa-1,3,5-trien-1-ol
CID 173388708
(3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane
CID 143254400
(3Z,5E)-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 142147647

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3,4-dimethylhexa-2,4-diene;N,2-dimethylprop-2-en-1-amine;(3Z,5Z)-4-methylhepta-1,3,5-triene;propane?
The IUPAC name of (2Z,4Z)-3,4-dimethylhexa-2,4-diene;N,2-dimethylprop-2-en-1-amine;(3Z,5Z)-4-methylhepta-1,3,5-triene;propane (CID 156721035) is (2Z,4Z)-3,4-dimethylhexa-2,4-diene;N,2-dimethylprop-2-en-1-amine;(3Z,5Z)-4-methylhepta-1,3,5-triene;propane.
What is the SMILES notation for (2Z,4Z)-3,4-dimethylhexa-2,4-diene;N,2-dimethylprop-2-en-1-amine;(3Z,5Z)-4-methylhepta-1,3,5-triene;propane?
The canonical SMILES for (2Z,4Z)-3,4-dimethylhexa-2,4-diene;N,2-dimethylprop-2-en-1-amine;(3Z,5Z)-4-methylhepta-1,3,5-triene;propane is C/C=C(C)\C(C)=C/C.C=C(C)CNC.C=C/C=C(C)\C=C/C.CCC.
What is the InChIKey of (2Z,4Z)-3,4-dimethylhexa-2,4-diene;N,2-dimethylprop-2-en-1-amine;(3Z,5Z)-4-methylhepta-1,3,5-triene;propane?
The InChIKey is IYHJQLLTTJJUQE-UXQOAIAYSA-N. The full InChI is InChI=1S/C8H14.C8H12.C5H11N.C3H8/c1-5-7(3)8(4)6-2;1-4-6-8(3)7-5-2;1-5(2)4-6-3;1-3-2/h5-6H,1-4H3;4-7H,1H2,2-3H3;6H,1,4H2,2-3H3;3H2,1-2H3/b2*7-5-,8-6-;;.
What are the key properties of (2Z,4Z)-3,4-dimethylhexa-2,4-diene;N,2-dimethylprop-2-en-1-amine;(3Z,5Z)-4-methylhepta-1,3,5-triene;propane?
(2Z,4Z)-3,4-dimethylhexa-2,4-diene;N,2-dimethylprop-2-en-1-amine;(3Z,5Z)-4-methylhepta-1,3,5-triene;propane has a molecular weight of 347.63 g/mol, XLogP of 7.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3,4-dimethylhexa-2,4-diene;N,2-dimethylprop-2-en-1-amine;(3Z,5Z)-4-methylhepta-1,3,5-triene;propane is sourced from PubChem (CID 156721035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).