5-butan-2-yl-1-azatricyclo[4.1.0.02,4]heptane

C10H17N — CID 149175379

IUPAC5-butan-2-yl-1-azatricyclo[4.1.0.02,4]heptane
SMILESCCC(C)C1C2CC2N2CC12
InChIInChI=1S/C10H17N/c1-3-6(2)10-7-4-8(7)11-5-9(10)11/h6-10H,3-5H2,1-2H3
InChIKeyWZWOASXPBVUUFL-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.74
Rot. Bonds2

About 5-butan-2-yl-1-azatricyclo[4.1.0.02,4]heptane

5-butan-2-yl-1-azatricyclo[4.1.0.02,4]heptane (PubChem CID 149175379) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 5-butan-2-yl-1-azatricyclo[4.1.0.02,4]heptane.

Molecular Properties

Compound Name5-butan-2-yl-1-azatricyclo[4.1.0.02,4]heptane
PubChem CID149175379
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name5-butan-2-yl-1-azatricyclo[4.1.0.02,4]heptane
SMILESCCC(C)C1C2CC2N2CC12
InChIInChI=1S/C10H17N/c1-3-6(2)10-7-4-8(7)11-5-9(10)11/h6-10H,3-5H2,1-2H3
InChIKeyWZWOASXPBVUUFL-UHFFFAOYSA-N
XLogP1.74
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 5-butan-2-yl-1-azatricyclo[4.1.0.02,4]heptane with MolForge

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

Launch Full Analysis

Related Compounds

2-butan-2-yl-3-ethylbicyclo[2.1.0]pentane
CID 123963440
3-butan-2-yl-2-methyl-2-azabicyclo[3.1.0]hexane;ethane
CID 177054148
2-butan-2-yl-1,3,5-trimethylcyclohexane
CID 90972647
2-butan-2-yl-1,3-dimethylcyclopentane
CID 90760041
2,3-di(butan-2-yl)cyclopropan-1-amine
CID 123532822
2-butan-2-yl-1,3-dimethylcyclohexane
CID 123219049
6-butan-2-yl-2-oxabicyclo[3.1.0]hexane
CID 166880351
4-butan-2-yl-1-hydroxypiperidine
CID 59870205
2-butan-2-yl-1-methyl-3-(3-methylpentan-2-yl)cyclobutane
CID 90870897
2-butan-2-yl-3-ethyl-5-methylcyclopentan-1-amine
CID 155282268
(2R)-2-butan-2-ylcyclopropane-1-thiol
CID 89002970
3-ethyl-2-methyl-2-azabicyclo[2.1.0]pentane
CID 123611758

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-azatricyclo[4.1.0.02,4]heptane?
The IUPAC name of 5-butan-2-yl-1-azatricyclo[4.1.0.02,4]heptane (CID 149175379) is 5-butan-2-yl-1-azatricyclo[4.1.0.02,4]heptane.
What is the SMILES notation for 5-butan-2-yl-1-azatricyclo[4.1.0.02,4]heptane?
The canonical SMILES for 5-butan-2-yl-1-azatricyclo[4.1.0.02,4]heptane is CCC(C)C1C2CC2N2CC12.
What is the InChIKey of 5-butan-2-yl-1-azatricyclo[4.1.0.02,4]heptane?
The InChIKey is WZWOASXPBVUUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-6(2)10-7-4-8(7)11-5-9(10)11/h6-10H,3-5H2,1-2H3.
What are the key properties of 5-butan-2-yl-1-azatricyclo[4.1.0.02,4]heptane?
5-butan-2-yl-1-azatricyclo[4.1.0.02,4]heptane has a molecular weight of 151.25 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-azatricyclo[4.1.0.02,4]heptane is sourced from PubChem (CID 149175379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).