3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;2-propan-2-yl-2-azaspiro[3.3]heptane;6-propan-2-yl-6-azaspiro[3.4]octane

C27H52N4 — CID 158199007

IUPAC3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;2-propan-2-yl-2-azaspiro[3.3]heptane;6-propan-2-yl-6-azaspiro[3.4]octane
SMILESCC(C)N1CC2(CCC2)C1.CC(C)N1CC2C(N)C2C1.CC(C)N1CCC2(CCC2)C1
InChIInChI=1S/C10H19N.C9H17N.C8H16N2/c1-9(2)11-7-6-10(8-11)4-3-5-10;1-8(2)10-6-9(7-10)4-3-5-9;1-5(2)10-3-6-7(4-10)8(6)9/h9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;5-8H,3-4,9H2,1-2H3
InChIKeyGARVTZYLKVYUPX-UHFFFAOYSA-N
MW432.74 g/mol
LogP4.44
Rot. Bonds3

About 3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;2-propan-2-yl-2-azaspiro[3.3]heptane;6-propan-2-yl-6-azaspiro[3.4]octane

3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;2-propan-2-yl-2-azaspiro[3.3]heptane;6-propan-2-yl-6-azaspiro[3.4]octane (PubChem CID 158199007) has the molecular formula C27H52N4 and a molecular weight of 432.74 g/mol. Its IUPAC name is 3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;2-propan-2-yl-2-azaspiro[3.3]heptane;6-propan-2-yl-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;2-propan-2-yl-2-azaspiro[3.3]heptane;6-propan-2-yl-6-azaspiro[3.4]octane
PubChem CID158199007
Molecular FormulaC27H52N4
Molecular Weight432.74 g/mol
Exact Mass432.42
IUPAC Name3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;2-propan-2-yl-2-azaspiro[3.3]heptane;6-propan-2-yl-6-azaspiro[3.4]octane
SMILESCC(C)N1CC2(CCC2)C1.CC(C)N1CC2C(N)C2C1.CC(C)N1CCC2(CCC2)C1
InChIInChI=1S/C10H19N.C9H17N.C8H16N2/c1-9(2)11-7-6-10(8-11)4-3-5-10;1-8(2)10-6-9(7-10)4-3-5-9;1-5(2)10-3-6-7(4-10)8(6)9/h9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;5-8H,3-4,9H2,1-2H3
InChIKeyGARVTZYLKVYUPX-UHFFFAOYSA-N
XLogP4.44
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.74
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;2-propan-2-yl-2-azaspiro[3.3]heptane;6-propan-2-yl-6-azaspiro[3.4]octane 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 3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;2-propan-2-yl-2-azaspiro[3.3]heptane;6-propan-2-yl-6-azaspiro[3.4]octane?
The IUPAC name of 3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;2-propan-2-yl-2-azaspiro[3.3]heptane;6-propan-2-yl-6-azaspiro[3.4]octane (CID 158199007) is 3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;2-propan-2-yl-2-azaspiro[3.3]heptane;6-propan-2-yl-6-azaspiro[3.4]octane.
What is the SMILES notation for 3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;2-propan-2-yl-2-azaspiro[3.3]heptane;6-propan-2-yl-6-azaspiro[3.4]octane?
The canonical SMILES for 3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;2-propan-2-yl-2-azaspiro[3.3]heptane;6-propan-2-yl-6-azaspiro[3.4]octane is CC(C)N1CC2(CCC2)C1.CC(C)N1CC2C(N)C2C1.CC(C)N1CCC2(CCC2)C1.
What is the InChIKey of 3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;2-propan-2-yl-2-azaspiro[3.3]heptane;6-propan-2-yl-6-azaspiro[3.4]octane?
The InChIKey is GARVTZYLKVYUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C9H17N.C8H16N2/c1-9(2)11-7-6-10(8-11)4-3-5-10;1-8(2)10-6-9(7-10)4-3-5-9;1-5(2)10-3-6-7(4-10)8(6)9/h9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;5-8H,3-4,9H2,1-2H3.
What are the key properties of 3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;2-propan-2-yl-2-azaspiro[3.3]heptane;6-propan-2-yl-6-azaspiro[3.4]octane?
3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;2-propan-2-yl-2-azaspiro[3.3]heptane;6-propan-2-yl-6-azaspiro[3.4]octane has a molecular weight of 432.74 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine;2-propan-2-yl-2-azaspiro[3.3]heptane;6-propan-2-yl-6-azaspiro[3.4]octane is sourced from PubChem (CID 158199007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).