5-methyl-N,1-di(propan-2-yl)-4,5,6,7,8,9-hexahydro-3H-cycloocta[b]pyrrol-2-imine

C17H30N2 — CID 174319616

IUPAC5-methyl-N,1-di(propan-2-yl)-4,5,6,7,8,9-hexahydro-3H-cycloocta[b]pyrrol-2-imine
SMILESCC1CCCCC2=C(C/C(=N\C(C)C)N2C(C)C)C1
InChIInChI=1S/C17H30N2/c1-12(2)18-17-11-15-10-14(5)8-6-7-9-16(15)19(17)13(3)4/h12-14H,6-11H2,1-5H3/b18-17+
InChIKeyBXQAVXXQFXCAFW-ISLYRVAYSA-N
MW262.44 g/mol
LogP4.76
Rot. Bonds2

About 5-methyl-N,1-di(propan-2-yl)-4,5,6,7,8,9-hexahydro-3H-cycloocta[b]pyrrol-2-imine

5-methyl-N,1-di(propan-2-yl)-4,5,6,7,8,9-hexahydro-3H-cycloocta[b]pyrrol-2-imine (PubChem CID 174319616) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 5-methyl-N,1-di(propan-2-yl)-4,5,6,7,8,9-hexahydro-3H-cycloocta[b]pyrrol-2-imine.

Molecular Properties

Compound Name5-methyl-N,1-di(propan-2-yl)-4,5,6,7,8,9-hexahydro-3H-cycloocta[b]pyrrol-2-imine
PubChem CID174319616
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name5-methyl-N,1-di(propan-2-yl)-4,5,6,7,8,9-hexahydro-3H-cycloocta[b]pyrrol-2-imine
SMILESCC1CCCCC2=C(C/C(=N\C(C)C)N2C(C)C)C1
InChIInChI=1S/C17H30N2/c1-12(2)18-17-11-15-10-14(5)8-6-7-9-16(15)19(17)13(3)4/h12-14H,6-11H2,1-5H3/b18-17+
InChIKeyBXQAVXXQFXCAFW-ISLYRVAYSA-N
XLogP4.76
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-methyl-N,1-di(propan-2-yl)-4,5,6,7,8,9-hexahydro-3H-cycloocta[b]pyrrol-2-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 5-methyl-N,1-di(propan-2-yl)-4,5,6,7,8,9-hexahydro-3H-cycloocta[b]pyrrol-2-imine?
The IUPAC name of 5-methyl-N,1-di(propan-2-yl)-4,5,6,7,8,9-hexahydro-3H-cycloocta[b]pyrrol-2-imine (CID 174319616) is 5-methyl-N,1-di(propan-2-yl)-4,5,6,7,8,9-hexahydro-3H-cycloocta[b]pyrrol-2-imine.
What is the SMILES notation for 5-methyl-N,1-di(propan-2-yl)-4,5,6,7,8,9-hexahydro-3H-cycloocta[b]pyrrol-2-imine?
The canonical SMILES for 5-methyl-N,1-di(propan-2-yl)-4,5,6,7,8,9-hexahydro-3H-cycloocta[b]pyrrol-2-imine is CC1CCCCC2=C(C/C(=N\C(C)C)N2C(C)C)C1.
What is the InChIKey of 5-methyl-N,1-di(propan-2-yl)-4,5,6,7,8,9-hexahydro-3H-cycloocta[b]pyrrol-2-imine?
The InChIKey is BXQAVXXQFXCAFW-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H30N2/c1-12(2)18-17-11-15-10-14(5)8-6-7-9-16(15)19(17)13(3)4/h12-14H,6-11H2,1-5H3/b18-17+.
What are the key properties of 5-methyl-N,1-di(propan-2-yl)-4,5,6,7,8,9-hexahydro-3H-cycloocta[b]pyrrol-2-imine?
5-methyl-N,1-di(propan-2-yl)-4,5,6,7,8,9-hexahydro-3H-cycloocta[b]pyrrol-2-imine has a molecular weight of 262.44 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N,1-di(propan-2-yl)-4,5,6,7,8,9-hexahydro-3H-cycloocta[b]pyrrol-2-imine is sourced from PubChem (CID 174319616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).