ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine

C10H21N — CID 145365374

IUPACethane;(Z)-N,4,4-trimethylpent-2-en-1-imine
SMILESC/N=C/C=C\C(C)(C)C.CC
InChIInChI=1S/C8H15N.C2H6/c1-8(2,3)6-5-7-9-4;1-2/h5-7H,1-4H3;1-2H3/b6-5-,9-7+;
InChIKeySSOCKHHLRCWNOQ-HMERWLGPSA-N
MW155.28 g/mol
LogP3.32
Rot. Bonds1

About ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine

ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine (PubChem CID 145365374) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine.

Molecular Properties

Compound Nameethane;(Z)-N,4,4-trimethylpent-2-en-1-imine
PubChem CID145365374
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Nameethane;(Z)-N,4,4-trimethylpent-2-en-1-imine
SMILESC/N=C/C=C\C(C)(C)C.CC
InChIInChI=1S/C8H15N.C2H6/c1-8(2,3)6-5-7-9-4;1-2/h5-7H,1-4H3;1-2H3/b6-5-,9-7+;
InChIKeySSOCKHHLRCWNOQ-HMERWLGPSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine?
The IUPAC name of ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine (CID 145365374) is ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine.
What is the SMILES notation for ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine?
The canonical SMILES for ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine is C/N=C/C=C\C(C)(C)C.CC.
What is the InChIKey of ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine?
The InChIKey is SSOCKHHLRCWNOQ-HMERWLGPSA-N. The full InChI is InChI=1S/C8H15N.C2H6/c1-8(2,3)6-5-7-9-4;1-2/h5-7H,1-4H3;1-2H3/b6-5-,9-7+;.
What are the key properties of ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine?
ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine has a molecular weight of 155.28 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine is sourced from PubChem (CID 145365374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).