1-tert-butyl-3-[[2-[2-methyl-2-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)propyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane

C25H44N2 — CID 129267365

IUPAC1-tert-butyl-3-[[2-[2-methyl-2-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)propyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane
SMILESCC(C)N1CC2CC2(C(C)(C)CC2CC2CN2CC3CC3(C(C)(C)C)C2)C1
InChIInChI=1S/C25H44N2/c1-17(2)27-14-21-11-25(21,16-27)23(6,7)9-18-8-19(18)12-26-13-20-10-24(20,15-26)22(3,4)5/h17-21H,8-16H2,1-7H3
InChIKeySTSJGTYLRAQWIN-UHFFFAOYSA-N
MW372.64 g/mol
LogP5.14
Rot. Bonds6

About 1-tert-butyl-3-[[2-[2-methyl-2-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)propyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane

1-tert-butyl-3-[[2-[2-methyl-2-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)propyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 129267365) has the molecular formula C25H44N2 and a molecular weight of 372.64 g/mol. Its IUPAC name is 1-tert-butyl-3-[[2-[2-methyl-2-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)propyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-tert-butyl-3-[[2-[2-methyl-2-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)propyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane
PubChem CID129267365
Molecular FormulaC25H44N2
Molecular Weight372.64 g/mol
Exact Mass372.35
IUPAC Name1-tert-butyl-3-[[2-[2-methyl-2-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)propyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane
SMILESCC(C)N1CC2CC2(C(C)(C)CC2CC2CN2CC3CC3(C(C)(C)C)C2)C1
InChIInChI=1S/C25H44N2/c1-17(2)27-14-21-11-25(21,16-27)23(6,7)9-18-8-19(18)12-26-13-20-10-24(20,15-26)22(3,4)5/h17-21H,8-16H2,1-7H3
InChIKeySTSJGTYLRAQWIN-UHFFFAOYSA-N
XLogP5.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.64
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-3-[[2-[2-methyl-2-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)propyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane 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 1-tert-butyl-3-[[2-[2-methyl-2-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)propyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-tert-butyl-3-[[2-[2-methyl-2-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)propyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane (CID 129267365) is 1-tert-butyl-3-[[2-[2-methyl-2-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)propyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-tert-butyl-3-[[2-[2-methyl-2-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)propyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-tert-butyl-3-[[2-[2-methyl-2-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)propyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane is CC(C)N1CC2CC2(C(C)(C)CC2CC2CN2CC3CC3(C(C)(C)C)C2)C1.
What is the InChIKey of 1-tert-butyl-3-[[2-[2-methyl-2-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)propyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is STSJGTYLRAQWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N2/c1-17(2)27-14-21-11-25(21,16-27)23(6,7)9-18-8-19(18)12-26-13-20-10-24(20,15-26)22(3,4)5/h17-21H,8-16H2,1-7H3.
What are the key properties of 1-tert-butyl-3-[[2-[2-methyl-2-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)propyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane?
1-tert-butyl-3-[[2-[2-methyl-2-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)propyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 372.64 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[[2-[2-methyl-2-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)propyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 129267365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).