ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine;propan-2-amine

C18H32N4 — CID 142874760

IUPACethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine;propan-2-amine
SMILESC=C/C(=C\C=C/C)c1nc(=C/C)/c(=C\N)[nH]1.CC.CC(C)N
InChIInChI=1S/C13H17N3.C3H9N.C2H6/c1-4-7-8-10(5-2)13-15-11(6-3)12(9-14)16-13;1-3(2)4;1-2/h4-9H,2,14H2,1,3H3,(H,15,16);3H,4H2,1-2H3;1-2H3/b7-4-,10-8+,11-6+,12-9+;;
InChIKeyQMWKUBJSFVGXAK-VJFJHYADSA-N
MW304.48 g/mol
LogP2.43
Rot. Bonds3

About ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine;propan-2-amine

ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine;propan-2-amine (PubChem CID 142874760) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine;propan-2-amine.

Molecular Properties

Compound Nameethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine;propan-2-amine
PubChem CID142874760
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Nameethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine;propan-2-amine
SMILESC=C/C(=C\C=C/C)c1nc(=C/C)/c(=C\N)[nH]1.CC.CC(C)N
InChIInChI=1S/C13H17N3.C3H9N.C2H6/c1-4-7-8-10(5-2)13-15-11(6-3)12(9-14)16-13;1-3(2)4;1-2/h4-9H,2,14H2,1,3H3,(H,15,16);3H,4H2,1-2H3;1-2H3/b7-4-,10-8+,11-6+,12-9+;;
InChIKeyQMWKUBJSFVGXAK-VJFJHYADSA-N
XLogP2.43
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine;propan-2-amine with MolForge

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Related Compounds

1-N-[(3E,4Z)-6-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-4-(aminomethylidene)-3-prop-2-enylidene-2-pyridinyl]-2-methylpropane-1,2-diamine
CID 89231364
(3Z)-3-ethylidene-N-(3-methylbut-1-en-2-yl)pyrrol-2-amine
CID 132170865
(E)-N'-ethenyl-2-methyl-3-(methylamino)-N-[(3E,5E)-2,5,6,7-tetramethylocta-1,3,5,7-tetraen-3-yl]but-2-enimidamide
CID 139469997
N-[[(4Z)-5-(cyclohexa-1,5-dien-1-ylmethylimino)-4-[1-(methylideneamino)ethylidene]-1H-pyrrol-2-yl]methyl]-N-propylpropan-1-amine;ethane
CID 142154822
ethanamine;ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine
CID 142874757
ethane;(5E)-5-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(Z)-prop-1-enyl]-1H-imidazol-4-imine
CID 142874761
(E)-[(4E)-2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4-ethylidene-1H-imidazol-5-ylidene]methanamine;propan-2-amine
CID 142874797
(1Z,3E)-3-(4,5-dihydro-1H-imidazol-2-yl)-N,N-dimethylpenta-1,3-dien-1-amine
CID 143241275
N-[(Z)-but-2-en-2-yl]-3-methylidenepyrrol-2-amine
CID 149143025
N-[(E)-2-amino-3-[[(1Z)-2-methylbuta-1,3-dienyl]-[(Z)-2-methylidenepent-3-enyl]amino]prop-1-enyl]-N'-but-3-enylethanimidamide
CID 156421168
(3Z)-N-(3-methylbut-1-en-2-yl)-3-prop-2-enylidenepyrrol-2-amine
CID 166896588
(3Z)-3-ethylidene-N-prop-1-en-2-ylpyrrol-2-amine
CID 167112837

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine;propan-2-amine?
The IUPAC name of ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine;propan-2-amine (CID 142874760) is ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine;propan-2-amine.
What is the SMILES notation for ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine;propan-2-amine?
The canonical SMILES for ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine;propan-2-amine is C=C/C(=C\C=C/C)c1nc(=C/C)/c(=C\N)[nH]1.CC.CC(C)N.
What is the InChIKey of ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine;propan-2-amine?
The InChIKey is QMWKUBJSFVGXAK-VJFJHYADSA-N. The full InChI is InChI=1S/C13H17N3.C3H9N.C2H6/c1-4-7-8-10(5-2)13-15-11(6-3)12(9-14)16-13;1-3(2)4;1-2/h4-9H,2,14H2,1,3H3,(H,15,16);3H,4H2,1-2H3;1-2H3/b7-4-,10-8+,11-6+,12-9+;;.
What are the key properties of ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine;propan-2-amine?
ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine;propan-2-amine has a molecular weight of 304.48 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine;propan-2-amine is sourced from PubChem (CID 142874760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).