ethane;N-[(Z)-prop-1-enyl]hexan-3-imine

C11H23N — CID 142112329

IUPACethane;N-[(Z)-prop-1-enyl]hexan-3-imine
SMILESC/C=C\N=C(/CC)CCC.CC
InChIInChI=1S/C9H17N.C2H6/c1-4-7-9(6-3)10-8-5-2;1-2/h5,8H,4,6-7H2,1-3H3;1-2H3/b8-5-,10-9+;
InChIKeyUGRJUCIOAUYMJC-BANBLHKUSA-N
MW169.31 g/mol
LogP4.20
Rot. Bonds4

About ethane;N-[(Z)-prop-1-enyl]hexan-3-imine

ethane;N-[(Z)-prop-1-enyl]hexan-3-imine (PubChem CID 142112329) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is ethane;N-[(Z)-prop-1-enyl]hexan-3-imine.

Molecular Properties

Compound Nameethane;N-[(Z)-prop-1-enyl]hexan-3-imine
PubChem CID142112329
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Nameethane;N-[(Z)-prop-1-enyl]hexan-3-imine
SMILESC/C=C\N=C(/CC)CCC.CC
InChIInChI=1S/C9H17N.C2H6/c1-4-7-9(6-3)10-8-5-2;1-2/h5,8H,4,6-7H2,1-3H3;1-2H3/b8-5-,10-9+;
InChIKeyUGRJUCIOAUYMJC-BANBLHKUSA-N
XLogP4.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;N-[(Z)-prop-1-enyl]hexan-3-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;N-[(Z)-prop-1-enyl]hexan-3-imine?
The IUPAC name of ethane;N-[(Z)-prop-1-enyl]hexan-3-imine (CID 142112329) is ethane;N-[(Z)-prop-1-enyl]hexan-3-imine.
What is the SMILES notation for ethane;N-[(Z)-prop-1-enyl]hexan-3-imine?
The canonical SMILES for ethane;N-[(Z)-prop-1-enyl]hexan-3-imine is C/C=C\N=C(/CC)CCC.CC.
What is the InChIKey of ethane;N-[(Z)-prop-1-enyl]hexan-3-imine?
The InChIKey is UGRJUCIOAUYMJC-BANBLHKUSA-N. The full InChI is InChI=1S/C9H17N.C2H6/c1-4-7-9(6-3)10-8-5-2;1-2/h5,8H,4,6-7H2,1-3H3;1-2H3/b8-5-,10-9+;.
What are the key properties of ethane;N-[(Z)-prop-1-enyl]hexan-3-imine?
ethane;N-[(Z)-prop-1-enyl]hexan-3-imine has a molecular weight of 169.31 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-prop-1-enyl]hexan-3-imine is sourced from PubChem (CID 142112329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).