2-(2-methylidenebutyl)-2-azabicyclo[3.1.0]hexane

C10H17N — CID 131155912

IUPAC2-(2-methylidenebutyl)-2-azabicyclo[3.1.0]hexane
SMILESC=C(CC)CN1CCC2CC21
InChIInChI=1S/C10H17N/c1-3-8(2)7-11-5-4-9-6-10(9)11/h9-10H,2-7H2,1H3
InChIKeyPWIDSQQNEFXMSW-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.05
Rot. Bonds3

About 2-(2-methylidenebutyl)-2-azabicyclo[3.1.0]hexane

2-(2-methylidenebutyl)-2-azabicyclo[3.1.0]hexane (PubChem CID 131155912) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-(2-methylidenebutyl)-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-(2-methylidenebutyl)-2-azabicyclo[3.1.0]hexane
PubChem CID131155912
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-(2-methylidenebutyl)-2-azabicyclo[3.1.0]hexane
SMILESC=C(CC)CN1CCC2CC21
InChIInChI=1S/C10H17N/c1-3-8(2)7-11-5-4-9-6-10(9)11/h9-10H,2-7H2,1H3
InChIKeyPWIDSQQNEFXMSW-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-methylidenebutyl)-2-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

Related Compounds

1-Cyclohexyl-3-(deuteriomethyl)-4-methylidenepyrrolidine
CID 15310477
3-Ethyl-4-methylidene-1-propan-2-ylpyrrolidine
CID 59676717
6-Methyl-3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexane
CID 69116334
3-Methyl-1-(2-methylidenecyclohexyl)pyrrolidine
CID 89380036
3-(2-Methylidenebut-3-enyl)-3-azabicyclo[3.1.0]hexane
CID 123515788
(1S,2S,5R)-3-propan-2-yl-2-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane
CID 129196547
1-(3-Methylbutan-2-yl)-4-methylidenepiperidine
CID 130679453
2-Prop-2-enyl-2-azabicyclo[3.1.0]hexane
CID 131029858
3-(3-Methylbut-1-en-2-yl)-3-azabicyclo[3.1.0]hexane
CID 135191049
(1S,5S)-2-methyl-6-methylidene-2-azabicyclo[3.1.0]hexane
CID 139495970
Ethane;3-ethyl-6-prop-1-en-2-yl-3-azabicyclo[3.1.0]hexane
CID 144979651
1-Cyclopentyl-4-methyl-3-methylidenepiperidine
CID 145118747

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylidenebutyl)-2-azabicyclo[3.1.0]hexane?
The IUPAC name of 2-(2-methylidenebutyl)-2-azabicyclo[3.1.0]hexane (CID 131155912) is 2-(2-methylidenebutyl)-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 2-(2-methylidenebutyl)-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for 2-(2-methylidenebutyl)-2-azabicyclo[3.1.0]hexane is C=C(CC)CN1CCC2CC21.
What is the InChIKey of 2-(2-methylidenebutyl)-2-azabicyclo[3.1.0]hexane?
The InChIKey is PWIDSQQNEFXMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-8(2)7-11-5-4-9-6-10(9)11/h9-10H,2-7H2,1H3.
What are the key properties of 2-(2-methylidenebutyl)-2-azabicyclo[3.1.0]hexane?
2-(2-methylidenebutyl)-2-azabicyclo[3.1.0]hexane has a molecular weight of 151.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylidenebutyl)-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 131155912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).