(2Z,4Z,6Z)-N-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propyl]-3-methyl-1-(methylideneamino)octa-2,4,6-trien-1-amine

C21H28N2 — CID 143721734

IUPAC(2Z,4Z,6Z)-N-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propyl]-3-methyl-1-(methylideneamino)octa-2,4,6-trien-1-amine
SMILESC=NC(/C=C(C)\C=C/C=C\C)NC/C(C)=c1\cccc\c1=C\C
InChIInChI=1S/C21H28N2/c1-6-8-9-12-17(3)15-21(22-5)23-16-18(4)20-14-11-10-13-19(20)7-2/h6-15,21,23H,5,16H2,1-4H3/b8-6-,12-9-,17-15-,19-7-,20-18+
InChIKeyDCLDLDVQLXAWTL-VZBXTUFDSA-N
MW308.47 g/mol
LogP3.35
Rot. Bonds7

About (2Z,4Z,6Z)-N-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propyl]-3-methyl-1-(methylideneamino)octa-2,4,6-trien-1-amine

(2Z,4Z,6Z)-N-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propyl]-3-methyl-1-(methylideneamino)octa-2,4,6-trien-1-amine (PubChem CID 143721734) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is (2Z,4Z,6Z)-N-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propyl]-3-methyl-1-(methylideneamino)octa-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2Z,4Z,6Z)-N-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propyl]-3-methyl-1-(methylideneamino)octa-2,4,6-trien-1-amine
PubChem CID143721734
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name(2Z,4Z,6Z)-N-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propyl]-3-methyl-1-(methylideneamino)octa-2,4,6-trien-1-amine
SMILESC=NC(/C=C(C)\C=C/C=C\C)NC/C(C)=c1\cccc\c1=C\C
InChIInChI=1S/C21H28N2/c1-6-8-9-12-17(3)15-21(22-5)23-16-18(4)20-14-11-10-13-19(20)7-2/h6-15,21,23H,5,16H2,1-4H3/b8-6-,12-9-,17-15-,19-7-,20-18+
InChIKeyDCLDLDVQLXAWTL-VZBXTUFDSA-N
XLogP3.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4Z,6Z)-N-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propyl]-3-methyl-1-(methylideneamino)octa-2,4,6-trien-1-amine with MolForge

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Related Compounds

4-(difluoromethyl)-N-[1-(methylideneamino)ethyl]cyclohexa-2,4-dien-1-amine
CID 143596357
1-N'-[(Z)-2-methylidenepent-3-enyl]ethane-1,1-diamine
CID 118181212
(3Z,6E)-1-N'-ethyl-1-N',6-dimethyl-2,5-dimethylidene-1-N-prop-2-enyldeca-3,6-diene-1,1-diamine
CID 124142836
(Z)-N,N'-dimethyl-2-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-propylidenecyclohexa-1,5-dien-1-yl]prop-1-ene-1,3-diamine
CID 129170413
2-[(2Z,4Z)-hexa-2,4-dienyl]-4-iodo-6-[(1E,3Z,5Z,7Z)-3-prop-2-enylidenenona-1,5,7-trienyl]-1,3,5-triazinane
CID 135177735
(Z,2E)-1-N'-ethyl-2-ethylidenepent-3-ene-1,1-diamine
CID 138518695
N-[4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-5-yl]methanimine
CID 138747410
1-N,1-N'-diethyl-2-methylcyclopenta-2,4-diene-1,1-diamine
CID 140101541
ethane;N-(5-ethenyl-2-methyl-1,2-dihydropyridin-6-yl)methanimine
CID 142302140
(2E,4E,6E,8E,10E,12Z,15E)-N-(1-amino-5-methylhepta-2,6-dienyl)-5,10-dimethylheptadeca-2,4,6,8,10,12,15-heptaene-1,17-diamine
CID 142424997
N'-[(E)-1-[[(2E)-2,4-dimethylpenta-2,4-dienyl]amino]-2-methylbut-2-enyl]methanimidamide
CID 145011924
(2E)-1-N'-butyl-2-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]but-3-ene-1,1-diamine
CID 146231987

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z)-N-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propyl]-3-methyl-1-(methylideneamino)octa-2,4,6-trien-1-amine?
The IUPAC name of (2Z,4Z,6Z)-N-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propyl]-3-methyl-1-(methylideneamino)octa-2,4,6-trien-1-amine (CID 143721734) is (2Z,4Z,6Z)-N-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propyl]-3-methyl-1-(methylideneamino)octa-2,4,6-trien-1-amine.
What is the SMILES notation for (2Z,4Z,6Z)-N-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propyl]-3-methyl-1-(methylideneamino)octa-2,4,6-trien-1-amine?
The canonical SMILES for (2Z,4Z,6Z)-N-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propyl]-3-methyl-1-(methylideneamino)octa-2,4,6-trien-1-amine is C=NC(/C=C(C)\C=C/C=C\C)NC/C(C)=c1\cccc\c1=C\C.
What is the InChIKey of (2Z,4Z,6Z)-N-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propyl]-3-methyl-1-(methylideneamino)octa-2,4,6-trien-1-amine?
The InChIKey is DCLDLDVQLXAWTL-VZBXTUFDSA-N. The full InChI is InChI=1S/C21H28N2/c1-6-8-9-12-17(3)15-21(22-5)23-16-18(4)20-14-11-10-13-19(20)7-2/h6-15,21,23H,5,16H2,1-4H3/b8-6-,12-9-,17-15-,19-7-,20-18+.
What are the key properties of (2Z,4Z,6Z)-N-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propyl]-3-methyl-1-(methylideneamino)octa-2,4,6-trien-1-amine?
(2Z,4Z,6Z)-N-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propyl]-3-methyl-1-(methylideneamino)octa-2,4,6-trien-1-amine has a molecular weight of 308.47 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z)-N-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propyl]-3-methyl-1-(methylideneamino)octa-2,4,6-trien-1-amine is sourced from PubChem (CID 143721734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).