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

C17H30N4 — CID 142874757

IUPACethanamine;ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine
SMILESC=C/C(=C\C=C/C)c1nc(=C/C)/c(=C\N)[nH]1.CC.CCN
InChIInChI=1S/C13H17N3.C2H7N.C2H6/c1-4-7-8-10(5-2)13-15-11(6-3)12(9-14)16-13;1-2-3;1-2/h4-9H,2,14H2,1,3H3,(H,15,16);2-3H2,1H3;1-2H3/b7-4-,10-8+,11-6+,12-9+;;
InChIKeyPFSWCNQETLTDTO-VJFJHYADSA-N
MW290.46 g/mol
LogP2.04
Rot. Bonds3

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

ethanamine;ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine (PubChem CID 142874757) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is ethanamine;ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine.

Molecular Properties

Compound Nameethanamine;ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine
PubChem CID142874757
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Nameethanamine;ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine
SMILESC=C/C(=C\C=C/C)c1nc(=C/C)/c(=C\N)[nH]1.CC.CCN
InChIInChI=1S/C13H17N3.C2H7N.C2H6/c1-4-7-8-10(5-2)13-15-11(6-3)12(9-14)16-13;1-2-3;1-2/h4-9H,2,14H2,1,3H3,(H,15,16);2-3H2,1H3;1-2H3/b7-4-,10-8+,11-6+,12-9+;;
InChIKeyPFSWCNQETLTDTO-VJFJHYADSA-N
XLogP2.04
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanamine;ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine?
The IUPAC name of ethanamine;ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine (CID 142874757) is ethanamine;ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine.
What is the SMILES notation for ethanamine;ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine?
The canonical SMILES for ethanamine;ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine is C=C/C(=C\C=C/C)c1nc(=C/C)/c(=C\N)[nH]1.CC.CCN.
What is the InChIKey of ethanamine;ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine?
The InChIKey is PFSWCNQETLTDTO-VJFJHYADSA-N. The full InChI is InChI=1S/C13H17N3.C2H7N.C2H6/c1-4-7-8-10(5-2)13-15-11(6-3)12(9-14)16-13;1-2-3;1-2/h4-9H,2,14H2,1,3H3,(H,15,16);2-3H2,1H3;1-2H3/b7-4-,10-8+,11-6+,12-9+;;.
What are the key properties of ethanamine;ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine?
ethanamine;ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine has a molecular weight of 290.46 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;ethane;(E)-[(4E)-4-ethylidene-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-imidazol-5-ylidene]methanamine is sourced from PubChem (CID 142874757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).