6-[2-[[(5Z)-6-(ethylideneamino)-3-methylidenehepta-1,5-dien-2-yl]amino]ethyl]-N,N-dimethyl-2-prop-2-enylcyclohepta-1,4,6-trien-1-amine

C24H35N3 — CID 143347109

IUPAC6-[2-[[(5Z)-6-(ethylideneamino)-3-methylidenehepta-1,5-dien-2-yl]amino]ethyl]-N,N-dimethyl-2-prop-2-enylcyclohepta-1,4,6-trien-1-amine
SMILESC=CCC1=C(N(C)C)C=C(CCNC(=C)C(=C)C/C=C(C)\N=C\C)C=CC1
InChIInChI=1S/C24H35N3/c1-8-11-23-13-10-12-22(18-24(23)27(6)7)16-17-26-21(5)19(3)14-15-20(4)25-9-2/h8-10,12,15,18,26H,1,3,5,11,13-14,16-17H2,2,4,6-7H3/b20-15-,25-9+
InChIKeyKWKDXGGPWYVUJO-LICOBOKKSA-N
MW365.57 g/mol
LogP5.70
Rot. Bonds11

About 6-[2-[[(5Z)-6-(ethylideneamino)-3-methylidenehepta-1,5-dien-2-yl]amino]ethyl]-N,N-dimethyl-2-prop-2-enylcyclohepta-1,4,6-trien-1-amine

6-[2-[[(5Z)-6-(ethylideneamino)-3-methylidenehepta-1,5-dien-2-yl]amino]ethyl]-N,N-dimethyl-2-prop-2-enylcyclohepta-1,4,6-trien-1-amine (PubChem CID 143347109) has the molecular formula C24H35N3 and a molecular weight of 365.57 g/mol. Its IUPAC name is 6-[2-[[(5Z)-6-(ethylideneamino)-3-methylidenehepta-1,5-dien-2-yl]amino]ethyl]-N,N-dimethyl-2-prop-2-enylcyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name6-[2-[[(5Z)-6-(ethylideneamino)-3-methylidenehepta-1,5-dien-2-yl]amino]ethyl]-N,N-dimethyl-2-prop-2-enylcyclohepta-1,4,6-trien-1-amine
PubChem CID143347109
Molecular FormulaC24H35N3
Molecular Weight365.57 g/mol
Exact Mass365.28
IUPAC Name6-[2-[[(5Z)-6-(ethylideneamino)-3-methylidenehepta-1,5-dien-2-yl]amino]ethyl]-N,N-dimethyl-2-prop-2-enylcyclohepta-1,4,6-trien-1-amine
SMILESC=CCC1=C(N(C)C)C=C(CCNC(=C)C(=C)C/C=C(C)\N=C\C)C=CC1
InChIInChI=1S/C24H35N3/c1-8-11-23-13-10-12-22(18-24(23)27(6)7)16-17-26-21(5)19(3)14-15-20(4)25-9-2/h8-10,12,15,18,26H,1,3,5,11,13-14,16-17H2,2,4,6-7H3/b20-15-,25-9+
InChIKeyKWKDXGGPWYVUJO-LICOBOKKSA-N
XLogP5.70
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.57
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[2-[[(5Z)-6-(ethylideneamino)-3-methylidenehepta-1,5-dien-2-yl]amino]ethyl]-N,N-dimethyl-2-prop-2-enylcyclohepta-1,4,6-trien-1-amine with MolForge

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Related Compounds

(4Z)-5-N-butyl-3-N-[(1Z,3E)-2-[(3E)-4-(ethylideneamino)-4-fluorobuta-1,3-dien-2-yl]-4-(trifluoromethyl)hexa-1,3,5-trienyl]-5-N-methyl-4-[(3Z,5Z)-4-methylocta-3,5-dienyl]hepta-1,2,4,6-tetraene-3,5-diamine
CID 176539760
(E)-2-but-1-enyl-N-[(4Z)-4-[(ethylideneamino)methylidene]-3-methylidenehex-1-en-2-yl]-5-fluoro-4-methylidenehex-2-en-1-amine
CID 143342084
(4Z,7E)-4-ethyl-5-(ethylideneamino)-2-N-[(4-fluoro-3-methylcyclohepta-1,3,5-trien-1-yl)methyl]-3-methylidenenona-1,4,7-triene-2,7-diamine
CID 143343651
1-N,1-N-diethyl-4-N-[(3E,5E)-8-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraen-4-yl]pentane-1,4-diamine
CID 88900020
(3Z)-N-ethyl-5-methyl-3-[1-(propan-2-ylideneamino)ethenyl]hexa-3,5-dien-1-amine
CID 91426030
[4-Ethyl-5-methylimino-11-(prop-2-enylamino)trideca-3,7,10,12-tetraen-3-yl]-methyl-methylideneazanium
CID 91589718
[(4Z,7Z)-9-(diethylamino)-5-[(E)-hex-2-en-2-yl]deca-4,7,9-trienylidene]-diethylazanium
CID 118120033
Dimethyl-[5-methyl-4-(methylamino)-3-propylhepta-2,4-dienylidene]azanium
CID 123427394
[3-Ethyl-5-methyl-4-(methylamino)hepta-2,4-dienylidene]-dimethylazanium
CID 123661743
(2Z,6Z)-2-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydroazocine
CID 123887554
(2Z,4Z,7Z)-1-N-(2,2-dimethylpropyl)-9-N-ethyl-3-methyl-6-methylidene-7-(methylideneamino)-9-N-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]deca-2,4,7,9-tetraene-1,9-diamine
CID 130183055
(3Z,5E,9E)-8-[(Z)-4-(butan-2-ylamino)but-2-en-2-yl]imino-N-ethyl-6-methylundeca-1,3,5,9-tetraen-2-amine
CID 132185571

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[(5Z)-6-(ethylideneamino)-3-methylidenehepta-1,5-dien-2-yl]amino]ethyl]-N,N-dimethyl-2-prop-2-enylcyclohepta-1,4,6-trien-1-amine?
The IUPAC name of 6-[2-[[(5Z)-6-(ethylideneamino)-3-methylidenehepta-1,5-dien-2-yl]amino]ethyl]-N,N-dimethyl-2-prop-2-enylcyclohepta-1,4,6-trien-1-amine (CID 143347109) is 6-[2-[[(5Z)-6-(ethylideneamino)-3-methylidenehepta-1,5-dien-2-yl]amino]ethyl]-N,N-dimethyl-2-prop-2-enylcyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for 6-[2-[[(5Z)-6-(ethylideneamino)-3-methylidenehepta-1,5-dien-2-yl]amino]ethyl]-N,N-dimethyl-2-prop-2-enylcyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for 6-[2-[[(5Z)-6-(ethylideneamino)-3-methylidenehepta-1,5-dien-2-yl]amino]ethyl]-N,N-dimethyl-2-prop-2-enylcyclohepta-1,4,6-trien-1-amine is C=CCC1=C(N(C)C)C=C(CCNC(=C)C(=C)C/C=C(C)\N=C\C)C=CC1.
What is the InChIKey of 6-[2-[[(5Z)-6-(ethylideneamino)-3-methylidenehepta-1,5-dien-2-yl]amino]ethyl]-N,N-dimethyl-2-prop-2-enylcyclohepta-1,4,6-trien-1-amine?
The InChIKey is KWKDXGGPWYVUJO-LICOBOKKSA-N. The full InChI is InChI=1S/C24H35N3/c1-8-11-23-13-10-12-22(18-24(23)27(6)7)16-17-26-21(5)19(3)14-15-20(4)25-9-2/h8-10,12,15,18,26H,1,3,5,11,13-14,16-17H2,2,4,6-7H3/b20-15-,25-9+.
What are the key properties of 6-[2-[[(5Z)-6-(ethylideneamino)-3-methylidenehepta-1,5-dien-2-yl]amino]ethyl]-N,N-dimethyl-2-prop-2-enylcyclohepta-1,4,6-trien-1-amine?
6-[2-[[(5Z)-6-(ethylideneamino)-3-methylidenehepta-1,5-dien-2-yl]amino]ethyl]-N,N-dimethyl-2-prop-2-enylcyclohepta-1,4,6-trien-1-amine has a molecular weight of 365.57 g/mol, XLogP of 5.70, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[(5Z)-6-(ethylideneamino)-3-methylidenehepta-1,5-dien-2-yl]amino]ethyl]-N,N-dimethyl-2-prop-2-enylcyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 143347109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).