(5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine;ethane

C29H34N2 — CID 145340795

IUPAC(5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine;ethane
SMILESC/C1=N/C/C=C\C=C/C(C)=C(\C2=CC=C(C3=c4ccccc4=CC4CC34)CC2)N1.CC
InChIInChI=1S/C27H28N2.C2H6/c1-18-8-4-3-7-15-28-19(2)29-27(18)21-13-11-20(12-14-21)26-24-10-6-5-9-22(24)16-23-17-25(23)26;1-2/h3-11,13,16,23,25H,12,14-15,17H2,1-2H3,(H,28,29);1-2H3/b7-3-,8-4-,27-18+;
InChIKeyQUNAWFNQENGWCQ-HPVPZIOBSA-N
MW410.61 g/mol
LogP5.35
Rot. Bonds2

About (5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine;ethane

(5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine;ethane (PubChem CID 145340795) has the molecular formula C29H34N2 and a molecular weight of 410.61 g/mol. Its IUPAC name is (5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine;ethane.

Molecular Properties

Compound Name(5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine;ethane
PubChem CID145340795
Molecular FormulaC29H34N2
Molecular Weight410.61 g/mol
Exact Mass410.27
IUPAC Name(5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine;ethane
SMILESC/C1=N/C/C=C\C=C/C(C)=C(\C2=CC=C(C3=c4ccccc4=CC4CC34)CC2)N1.CC
InChIInChI=1S/C27H28N2.C2H6/c1-18-8-4-3-7-15-28-19(2)29-27(18)21-13-11-20(12-14-21)26-24-10-6-5-9-22(24)16-23-17-25(23)26;1-2/h3-11,13,16,23,25H,12,14-15,17H2,1-2H3,(H,28,29);1-2H3/b7-3-,8-4-,27-18+;
InChIKeyQUNAWFNQENGWCQ-HPVPZIOBSA-N
XLogP5.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.61
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine;ethane with MolForge

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Launch Full Analysis

Related Compounds

N-[1-[2-[2-(2,3-dihydropyridin-4-yl)propyl]-2-methylcyclopropylidene]-7-(5-fluorocyclohexa-1,3-dien-1-yl)-4-methylhept-6-enyl]-N'-(4-methyl-2,3-dihydropyridin-6-yl)ethanimidamide
CID 91344589
N'-[(E)-1-(4,4a,5,6-tetrahydronaphthalen-1-yl)-3-[4-[4-[[4-cyclohexa-2,4-dien-1-yl-2-[(3E)-4-[(1S)-cyclohexa-2,4-dien-1-yl]hepta-1,3-dien-2-yl]cyclohexa-1,3-dien-1-yl]amino]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]prop-2-enyl]cyclohexa-2,4-diene-1-carboximidamide
CID 89377875
9-(2-ethenyl-6-methylcyclohexa-2,4-dien-1-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-1H-cyclohepta[d]pyrimidine
CID 90705010
6-Cyclohexa-1,3-dien-1-yl-4,5-di(cyclohexa-2,4-dien-1-yl)-2-[4-(1,2,3,6-tetrahydropyridin-5-yl)cyclohex-2-en-1-yl]-1,4-dihydropyrimidine
CID 139525755
ethane;5-methyl-1a,4,7,7b-tetrahydro-1H-cyclopropa[f]quinazoline
CID 144041215
5-methyl-1a,4,7,7b-tetrahydro-1H-cyclopropa[f]quinazoline
CID 144041216
(5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine
CID 145340796

Frequently Asked Questions

What is the IUPAC name of (5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine;ethane?
The IUPAC name of (5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine;ethane (CID 145340795) is (5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine;ethane.
What is the SMILES notation for (5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine;ethane?
The canonical SMILES for (5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine;ethane is C/C1=N/C/C=C\C=C/C(C)=C(\C2=CC=C(C3=c4ccccc4=CC4CC34)CC2)N1.CC.
What is the InChIKey of (5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine;ethane?
The InChIKey is QUNAWFNQENGWCQ-HPVPZIOBSA-N. The full InChI is InChI=1S/C27H28N2.C2H6/c1-18-8-4-3-7-15-28-19(2)29-27(18)21-13-11-20(12-14-21)26-24-10-6-5-9-22(24)16-23-17-25(23)26;1-2/h3-11,13,16,23,25H,12,14-15,17H2,1-2H3,(H,28,29);1-2H3/b7-3-,8-4-,27-18+;.
What are the key properties of (5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine;ethane?
(5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine;ethane has a molecular weight of 410.61 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z,9E)-10-[4-(1a,7a-dihydro-1H-cyclopropa[b]naphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,9-dimethyl-1,4-dihydro-1,3-diazecine;ethane is sourced from PubChem (CID 145340795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).