(4aZ,6Z,8Z)-N,2-di(propan-2-yl)-3,4-dihydrocycloocta[c]pyridin-1-imine

C17H24N2 — CID 174047615

IUPAC(4aZ,6Z,8Z)-N,2-di(propan-2-yl)-3,4-dihydrocycloocta[c]pyridin-1-imine
SMILESCC(C)/N=C1\C2=C/C=C\C=C/C=C\2CCN1C(C)C
InChIInChI=1S/C17H24N2/c1-13(2)18-17-16-10-8-6-5-7-9-15(16)11-12-19(17)14(3)4/h5-10,13-14H,11-12H2,1-4H3/b6-5-,7-5-,8-6-,9-7-,10-8?,15-9-,16-10?,18-17+
InChIKeyZMDGBDDRDIETET-WGZYUXAUSA-N
MW256.39 g/mol
LogP3.89
Rot. Bonds2

About (4aZ,6Z,8Z)-N,2-di(propan-2-yl)-3,4-dihydrocycloocta[c]pyridin-1-imine

(4aZ,6Z,8Z)-N,2-di(propan-2-yl)-3,4-dihydrocycloocta[c]pyridin-1-imine (PubChem CID 174047615) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (4aZ,6Z,8Z)-N,2-di(propan-2-yl)-3,4-dihydrocycloocta[c]pyridin-1-imine.

Molecular Properties

Compound Name(4aZ,6Z,8Z)-N,2-di(propan-2-yl)-3,4-dihydrocycloocta[c]pyridin-1-imine
PubChem CID174047615
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name(4aZ,6Z,8Z)-N,2-di(propan-2-yl)-3,4-dihydrocycloocta[c]pyridin-1-imine
SMILESCC(C)/N=C1\C2=C/C=C\C=C/C=C\2CCN1C(C)C
InChIInChI=1S/C17H24N2/c1-13(2)18-17-16-10-8-6-5-7-9-15(16)11-12-19(17)14(3)4/h5-10,13-14H,11-12H2,1-4H3/b6-5-,7-5-,8-6-,9-7-,10-8?,15-9-,16-10?,18-17+
InChIKeyZMDGBDDRDIETET-WGZYUXAUSA-N
XLogP3.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4aZ,6Z,8Z)-N,2-di(propan-2-yl)-3,4-dihydrocycloocta[c]pyridin-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4aZ,6Z,8Z)-N,2-di(propan-2-yl)-3,4-dihydrocycloocta[c]pyridin-1-imine?
The IUPAC name of (4aZ,6Z,8Z)-N,2-di(propan-2-yl)-3,4-dihydrocycloocta[c]pyridin-1-imine (CID 174047615) is (4aZ,6Z,8Z)-N,2-di(propan-2-yl)-3,4-dihydrocycloocta[c]pyridin-1-imine.
What is the SMILES notation for (4aZ,6Z,8Z)-N,2-di(propan-2-yl)-3,4-dihydrocycloocta[c]pyridin-1-imine?
The canonical SMILES for (4aZ,6Z,8Z)-N,2-di(propan-2-yl)-3,4-dihydrocycloocta[c]pyridin-1-imine is CC(C)/N=C1\C2=C/C=C\C=C/C=C\2CCN1C(C)C.
What is the InChIKey of (4aZ,6Z,8Z)-N,2-di(propan-2-yl)-3,4-dihydrocycloocta[c]pyridin-1-imine?
The InChIKey is ZMDGBDDRDIETET-WGZYUXAUSA-N. The full InChI is InChI=1S/C17H24N2/c1-13(2)18-17-16-10-8-6-5-7-9-15(16)11-12-19(17)14(3)4/h5-10,13-14H,11-12H2,1-4H3/b6-5-,7-5-,8-6-,9-7-,10-8?,15-9-,16-10?,18-17+.
What are the key properties of (4aZ,6Z,8Z)-N,2-di(propan-2-yl)-3,4-dihydrocycloocta[c]pyridin-1-imine?
(4aZ,6Z,8Z)-N,2-di(propan-2-yl)-3,4-dihydrocycloocta[c]pyridin-1-imine has a molecular weight of 256.39 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aZ,6Z,8Z)-N,2-di(propan-2-yl)-3,4-dihydrocycloocta[c]pyridin-1-imine is sourced from PubChem (CID 174047615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).