ethane;3-(2-methylprop-2-enyl)azetidine

C9H19N — CID 143794874

IUPACethane;3-(2-methylprop-2-enyl)azetidine
SMILESC=C(C)CC1CNC1.CC
InChIInChI=1S/C7H13N.C2H6/c1-6(2)3-7-4-8-5-7;1-2/h7-8H,1,3-5H2,2H3;1-2H3
InChIKeyFRUXFERLZYOLCU-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.20
Rot. Bonds2

About ethane;3-(2-methylprop-2-enyl)azetidine

ethane;3-(2-methylprop-2-enyl)azetidine (PubChem CID 143794874) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is ethane;3-(2-methylprop-2-enyl)azetidine.

Molecular Properties

Compound Nameethane;3-(2-methylprop-2-enyl)azetidine
PubChem CID143794874
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Nameethane;3-(2-methylprop-2-enyl)azetidine
SMILESC=C(C)CC1CNC1.CC
InChIInChI=1S/C7H13N.C2H6/c1-6(2)3-7-4-8-5-7;1-2/h7-8H,1,3-5H2,2H3;1-2H3
InChIKeyFRUXFERLZYOLCU-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;3-(2-methylprop-2-enyl)azetidine 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

3-[(E)-4-fluoro-2-methylpent-2-enyl]azetidine
CID 138638612
3-Fluoro-3-(2-methylprop-2-enyl)azetidine
CID 122239981
Methyl(2-methylhex-5-en-1-yl)amine
CID 17825002
4-methyl-2-methylidene-N-(4-methyl-2-methylidenepentyl)pentan-1-amine
CID 20268946
Methyl[(3-methylidenecyclobutyl)methyl]amine
CID 54389886
4-methyl-N-(2-methylpropyl)pent-4-en-1-amine
CID 79185613
N,3,5-trimethylhex-5-en-1-amine
CID 81019816
N,4-dimethyl-3-methylidenepentan-1-amine
CID 90839476
N,4-dimethyl-2-methylidenepentan-1-amine
CID 91250259
3-Methylidene-2-(2-methylpropyl)azetidine
CID 91502166
N-methyl-1-(3-prop-1-en-2-ylcyclobutyl)methanamine
CID 118395320
N,2-dimethyl-4-methylidenehexan-1-amine
CID 123326740

Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-methylprop-2-enyl)azetidine?
The IUPAC name of ethane;3-(2-methylprop-2-enyl)azetidine (CID 143794874) is ethane;3-(2-methylprop-2-enyl)azetidine.
What is the SMILES notation for ethane;3-(2-methylprop-2-enyl)azetidine?
The canonical SMILES for ethane;3-(2-methylprop-2-enyl)azetidine is C=C(C)CC1CNC1.CC.
What is the InChIKey of ethane;3-(2-methylprop-2-enyl)azetidine?
The InChIKey is FRUXFERLZYOLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C2H6/c1-6(2)3-7-4-8-5-7;1-2/h7-8H,1,3-5H2,2H3;1-2H3.
What are the key properties of ethane;3-(2-methylprop-2-enyl)azetidine?
ethane;3-(2-methylprop-2-enyl)azetidine has a molecular weight of 141.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-methylprop-2-enyl)azetidine is sourced from PubChem (CID 143794874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).