ethane;(Z)-N-methyl-3-propan-2-ylpent-3-en-2-imine

C11H23N — CID 176699215

IUPACethane;(Z)-N-methyl-3-propan-2-ylpent-3-en-2-imine
SMILESC/C=C(C(\C)=N\C)/C(C)C.CC
InChIInChI=1S/C9H17N.C2H6/c1-6-9(7(2)3)8(4)10-5;1-2/h6-7H,1-5H3;1-2H3/b9-6-,10-8+;
InChIKeyCEMRTTLBCMWAIU-MPDHYTMWSA-N
MW169.31 g/mol
LogP3.71
Rot. Bonds2

About ethane;(Z)-N-methyl-3-propan-2-ylpent-3-en-2-imine

ethane;(Z)-N-methyl-3-propan-2-ylpent-3-en-2-imine (PubChem CID 176699215) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is ethane;(Z)-N-methyl-3-propan-2-ylpent-3-en-2-imine.

Molecular Properties

Compound Nameethane;(Z)-N-methyl-3-propan-2-ylpent-3-en-2-imine
PubChem CID176699215
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Nameethane;(Z)-N-methyl-3-propan-2-ylpent-3-en-2-imine
SMILESC/C=C(C(\C)=N\C)/C(C)C.CC
InChIInChI=1S/C9H17N.C2H6/c1-6-9(7(2)3)8(4)10-5;1-2/h6-7H,1-5H3;1-2H3/b9-6-,10-8+;
InChIKeyCEMRTTLBCMWAIU-MPDHYTMWSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(Z)-N-methyl-3-propan-2-ylpent-3-en-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

(E)-3-(2-fluoropropan-2-yl)-N-methylpent-3-en-2-imine
CID 123828931
(E)-5-cyclopropyl-2-fluoro-N,2-dimethylhex-4-en-3-imine
CID 166896627
(4E)-2-fluoro-N,2,5-trimethylnona-4,8-dien-3-imine
CID 169851903
(Z)-8-fluoro-N,2-dimethylnon-4-en-3-imine
CID 174356459
(E)-3-ethyl-N,4-dimethylpent-2-enimidoyl fluoride
CID 176575425
(4E)-6-fluoro-N,2,5,6-tetramethylhepta-1,4-dien-3-imine
CID 153392502
(E)-1-cyclopropyl-4-fluoro-N,3,4-trimethylpent-2-en-1-imine
CID 177146356
4,5-di(propan-2-yl)-2H-pyrrole
CID 22891060
2,3,5-tri(propan-2-yl)-2H-pyrrole
CID 58164648
2,4,5-tri(propan-2-yl)-2H-pyrrole
CID 58164706
(Z)-N,3-dimethylpent-3-en-2-imine
CID 58274132
4-methyl-5-propan-2-yl-2H-pyrrole
CID 58318552

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-methyl-3-propan-2-ylpent-3-en-2-imine?
The IUPAC name of ethane;(Z)-N-methyl-3-propan-2-ylpent-3-en-2-imine (CID 176699215) is ethane;(Z)-N-methyl-3-propan-2-ylpent-3-en-2-imine.
What is the SMILES notation for ethane;(Z)-N-methyl-3-propan-2-ylpent-3-en-2-imine?
The canonical SMILES for ethane;(Z)-N-methyl-3-propan-2-ylpent-3-en-2-imine is C/C=C(C(\C)=N\C)/C(C)C.CC.
What is the InChIKey of ethane;(Z)-N-methyl-3-propan-2-ylpent-3-en-2-imine?
The InChIKey is CEMRTTLBCMWAIU-MPDHYTMWSA-N. The full InChI is InChI=1S/C9H17N.C2H6/c1-6-9(7(2)3)8(4)10-5;1-2/h6-7H,1-5H3;1-2H3/b9-6-,10-8+;.
What are the key properties of ethane;(Z)-N-methyl-3-propan-2-ylpent-3-en-2-imine?
ethane;(Z)-N-methyl-3-propan-2-ylpent-3-en-2-imine has a molecular weight of 169.31 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-methyl-3-propan-2-ylpent-3-en-2-imine is sourced from PubChem (CID 176699215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).