N-(1,2,3,3a,5,6,7,7a-octahydroinden-4-ylideneamino)-1,2,3,3a,5,6-hexahydroinden-4-imine

C18H26N2 — CID 90790554

IUPACN-(1,2,3,3a,5,6,7,7a-octahydroinden-4-ylideneamino)-1,2,3,3a,5,6-hexahydroinden-4-imine
SMILESC1=C2CCCC2C(=NN=C2CCCC3CCCC23)CC1
InChIInChI=1S/C18H26N2/c1-5-13-7-3-11-17(15(13)9-1)19-20-18-12-4-8-14-6-2-10-16(14)18/h7,14-16H,1-6,8-12H2
InChIKeyNFVXLBVJGDHQPX-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.90
Rot. Bonds1

About N-(1,2,3,3a,5,6,7,7a-octahydroinden-4-ylideneamino)-1,2,3,3a,5,6-hexahydroinden-4-imine

N-(1,2,3,3a,5,6,7,7a-octahydroinden-4-ylideneamino)-1,2,3,3a,5,6-hexahydroinden-4-imine (PubChem CID 90790554) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-(1,2,3,3a,5,6,7,7a-octahydroinden-4-ylideneamino)-1,2,3,3a,5,6-hexahydroinden-4-imine.

Molecular Properties

Compound NameN-(1,2,3,3a,5,6,7,7a-octahydroinden-4-ylideneamino)-1,2,3,3a,5,6-hexahydroinden-4-imine
PubChem CID90790554
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-(1,2,3,3a,5,6,7,7a-octahydroinden-4-ylideneamino)-1,2,3,3a,5,6-hexahydroinden-4-imine
SMILESC1=C2CCCC2C(=NN=C2CCCC3CCCC23)CC1
InChIInChI=1S/C18H26N2/c1-5-13-7-3-11-17(15(13)9-1)19-20-18-12-4-8-14-6-2-10-16(14)18/h7,14-16H,1-6,8-12H2
InChIKeyNFVXLBVJGDHQPX-UHFFFAOYSA-N
XLogP4.90
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(1,2,3,3a,5,6,7,7a-octahydroinden-4-ylideneamino)-1,2,3,3a,5,6-hexahydroinden-4-imine with MolForge

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Related Compounds

(NE)-N-[(3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]hydroxylamine
CID 98511830
(1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene
CID 141390482
1-(2-methoxycyclopentyl)cyclopentene
CID 166921968
N-(2-cyclohexylcyclohexylidene)hydroxylamine
CID 73167271
2-(cyclohexen-1-yl)-6-cyclohexylidenecyclohexan-1-one
CID 3016281
1,2,3,3a,4,5-hexahydropentalene
CID 13058233
(4aS,10aS)-5-chloro-1,2,3,4,4a,7,8,9,10,10a-decahydrophenanthrene
CID 57120268
cis-(2R,6S)-2-(cyclohexen-1-yl)-6-[[(1R,3R)-3-(cyclohexen-1-yl)-2-oxocyclohexyl]methyl]cyclohexan-1-one
CID 7350087
1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol
CID 78062967
(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol
CID 101144558
7-(cyclohexen-1-yl)bicyclo[4.2.0]oct-1-ene
CID 589378
1-cyclobutylcyclobutene
CID 556361

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,3a,5,6,7,7a-octahydroinden-4-ylideneamino)-1,2,3,3a,5,6-hexahydroinden-4-imine?
The IUPAC name of N-(1,2,3,3a,5,6,7,7a-octahydroinden-4-ylideneamino)-1,2,3,3a,5,6-hexahydroinden-4-imine (CID 90790554) is N-(1,2,3,3a,5,6,7,7a-octahydroinden-4-ylideneamino)-1,2,3,3a,5,6-hexahydroinden-4-imine.
What is the SMILES notation for N-(1,2,3,3a,5,6,7,7a-octahydroinden-4-ylideneamino)-1,2,3,3a,5,6-hexahydroinden-4-imine?
The canonical SMILES for N-(1,2,3,3a,5,6,7,7a-octahydroinden-4-ylideneamino)-1,2,3,3a,5,6-hexahydroinden-4-imine is C1=C2CCCC2C(=NN=C2CCCC3CCCC23)CC1.
What is the InChIKey of N-(1,2,3,3a,5,6,7,7a-octahydroinden-4-ylideneamino)-1,2,3,3a,5,6-hexahydroinden-4-imine?
The InChIKey is NFVXLBVJGDHQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-5-13-7-3-11-17(15(13)9-1)19-20-18-12-4-8-14-6-2-10-16(14)18/h7,14-16H,1-6,8-12H2.
What are the key properties of N-(1,2,3,3a,5,6,7,7a-octahydroinden-4-ylideneamino)-1,2,3,3a,5,6-hexahydroinden-4-imine?
N-(1,2,3,3a,5,6,7,7a-octahydroinden-4-ylideneamino)-1,2,3,3a,5,6-hexahydroinden-4-imine has a molecular weight of 270.42 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,3a,5,6,7,7a-octahydroinden-4-ylideneamino)-1,2,3,3a,5,6-hexahydroinden-4-imine is sourced from PubChem (CID 90790554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).