ethane;N-(3-methylbut-2-en-2-yl)propan-2-imine

C10H21N — CID 143677129

IUPACethane;N-(3-methylbut-2-en-2-yl)propan-2-imine
SMILESCC.CC(C)=NC(C)=C(C)C
InChIInChI=1S/C8H15N.C2H6/c1-6(2)8(5)9-7(3)4;1-2/h1-5H3;1-2H3
InChIKeyAHGXVGYTPMZIOH-UHFFFAOYSA-N
MW155.28 g/mol
LogP3.81
Rot. Bonds1

About ethane;N-(3-methylbut-2-en-2-yl)propan-2-imine

ethane;N-(3-methylbut-2-en-2-yl)propan-2-imine (PubChem CID 143677129) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is ethane;N-(3-methylbut-2-en-2-yl)propan-2-imine.

Molecular Properties

Compound Nameethane;N-(3-methylbut-2-en-2-yl)propan-2-imine
PubChem CID143677129
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Nameethane;N-(3-methylbut-2-en-2-yl)propan-2-imine
SMILESCC.CC(C)=NC(C)=C(C)C
InChIInChI=1S/C8H15N.C2H6/c1-6(2)8(5)9-7(3)4;1-2/h1-5H3;1-2H3
InChIKeyAHGXVGYTPMZIOH-UHFFFAOYSA-N
XLogP3.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethane;N-(3-methylbut-2-en-2-yl)propan-2-imine 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

N-(3-methylbut-2-en-2-yl)propan-2-imine
CID 20708749
N-(3-methylbut-2-en-2-yl)butan-2-imine
CID 59921687
3-N-(3-methylbut-2-en-2-yl)butane-2,3-diimine
CID 89467581
3-methyl-N-(3-methylbut-2-en-2-yl)butan-2-imine
CID 91177005
N-(3-methylpent-2-en-2-yl)propan-2-imine
CID 123477094
butane;methanethiol;N-(3-methylbut-2-en-2-yl)propan-2-imine
CID 142061860
N-[(E)-3-methylpent-2-en-2-yl]propan-2-imine
CID 143444586
ethane;N-(3-methylbut-2-en-2-yl)butan-2-imine
CID 145022112
3,3-dimethyl-N-(3-methylbut-2-en-2-yl)butan-2-imine
CID 156477155
N-(3-methylbut-2-en-2-yl)pentan-3-imine
CID 169897391
N-(3-methylbut-2-en-2-yl)pentan-2-imine
CID 141856362

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-methylbut-2-en-2-yl)propan-2-imine?
The IUPAC name of ethane;N-(3-methylbut-2-en-2-yl)propan-2-imine (CID 143677129) is ethane;N-(3-methylbut-2-en-2-yl)propan-2-imine.
What is the SMILES notation for ethane;N-(3-methylbut-2-en-2-yl)propan-2-imine?
The canonical SMILES for ethane;N-(3-methylbut-2-en-2-yl)propan-2-imine is CC.CC(C)=NC(C)=C(C)C.
What is the InChIKey of ethane;N-(3-methylbut-2-en-2-yl)propan-2-imine?
The InChIKey is AHGXVGYTPMZIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C2H6/c1-6(2)8(5)9-7(3)4;1-2/h1-5H3;1-2H3.
What are the key properties of ethane;N-(3-methylbut-2-en-2-yl)propan-2-imine?
ethane;N-(3-methylbut-2-en-2-yl)propan-2-imine has a molecular weight of 155.28 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-methylbut-2-en-2-yl)propan-2-imine is sourced from PubChem (CID 143677129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).