1,3-bis[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]imidazolidine

C19H28N2 — CID 176760810

IUPAC1,3-bis[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]imidazolidine
SMILESC=C(C)/C=C\C(=C\C)N1CCN(C(/C=C\C(=C)C)=C\C)C1
InChIInChI=1S/C19H28N2/c1-7-18(11-9-16(3)4)20-13-14-21(15-20)19(8-2)12-10-17(5)6/h7-12H,3,5,13-15H2,1-2,4,6H3/b11-9-,12-10-,18-7-,19-8-
InChIKeyWMPWXMJYUHKPNO-MHFNOWPGSA-N
MW284.45 g/mol
LogP4.63
Rot. Bonds6

About 1,3-bis[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]imidazolidine

1,3-bis[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]imidazolidine (PubChem CID 176760810) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 1,3-bis[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]imidazolidine.

Molecular Properties

Compound Name1,3-bis[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]imidazolidine
PubChem CID176760810
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name1,3-bis[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]imidazolidine
SMILESC=C(C)/C=C\C(=C\C)N1CCN(C(/C=C\C(=C)C)=C\C)C1
InChIInChI=1S/C19H28N2/c1-7-18(11-9-16(3)4)20-13-14-21(15-20)19(8-2)12-10-17(5)6/h7-12H,3,5,13-15H2,1-2,4,6H3/b11-9-,12-10-,18-7-,19-8-
InChIKeyWMPWXMJYUHKPNO-MHFNOWPGSA-N
XLogP4.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholine
CID 142175589
(3Z,5E)-5-(4-methylpiperazin-1-yl)hepta-1,3,5-trien-2-amine
CID 166686108
1-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]ethanone
CID 144786751
(2E,3Z)-2-ethylidene-5-methyl-1-morpholin-4-ylhexa-3,5-dien-1-one
CID 166764494
4-[(2E,4Z)-6-bromohepta-2,4,6-trien-3-yl]morpholine
CID 155748079
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
1-[4-[(2E,4Z,6E)-7-iodohepta-2,4,6-trien-3-yl]piperazin-1-yl]ethanone
CID 142187098
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
(3Z,5E)-5-bromo-2-methylhepta-1,3,5-triene;ethane
CID 144637545
(3Z,6Z)-2,6-dimethyl-5-methylideneocta-1,3,6-triene
CID 166131805

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]imidazolidine?
The IUPAC name of 1,3-bis[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]imidazolidine (CID 176760810) is 1,3-bis[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]imidazolidine.
What is the SMILES notation for 1,3-bis[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]imidazolidine?
The canonical SMILES for 1,3-bis[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]imidazolidine is C=C(C)/C=C\C(=C\C)N1CCN(C(/C=C\C(=C)C)=C\C)C1.
What is the InChIKey of 1,3-bis[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]imidazolidine?
The InChIKey is WMPWXMJYUHKPNO-MHFNOWPGSA-N. The full InChI is InChI=1S/C19H28N2/c1-7-18(11-9-16(3)4)20-13-14-21(15-20)19(8-2)12-10-17(5)6/h7-12H,3,5,13-15H2,1-2,4,6H3/b11-9-,12-10-,18-7-,19-8-.
What are the key properties of 1,3-bis[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]imidazolidine?
1,3-bis[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]imidazolidine has a molecular weight of 284.45 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(2Z,4Z)-6-methylhepta-2,4,6-trien-3-yl]imidazolidine is sourced from PubChem (CID 176760810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).