ethane;(Z)-N-[(Z)-prop-1-enyl]hex-4-en-3-imine

C11H21N — CID 143700534

IUPACethane;(Z)-N-[(Z)-prop-1-enyl]hex-4-en-3-imine
SMILESC/C=C\N=C(\C=C/C)CC.CC
InChIInChI=1S/C9H15N.C2H6/c1-4-7-9(6-3)10-8-5-2;1-2/h4-5,7-8H,6H2,1-3H3;1-2H3/b7-4-,8-5-,10-9+;
InChIKeyWDTYDVDROTUBRQ-VZCUHEIGSA-N
MW167.30 g/mol
LogP3.97
Rot. Bonds3

About ethane;(Z)-N-[(Z)-prop-1-enyl]hex-4-en-3-imine

ethane;(Z)-N-[(Z)-prop-1-enyl]hex-4-en-3-imine (PubChem CID 143700534) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is ethane;(Z)-N-[(Z)-prop-1-enyl]hex-4-en-3-imine.

Molecular Properties

Compound Nameethane;(Z)-N-[(Z)-prop-1-enyl]hex-4-en-3-imine
PubChem CID143700534
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Nameethane;(Z)-N-[(Z)-prop-1-enyl]hex-4-en-3-imine
SMILESC/C=C\N=C(\C=C/C)CC.CC
InChIInChI=1S/C9H15N.C2H6/c1-4-7-9(6-3)10-8-5-2;1-2/h4-5,7-8H,6H2,1-3H3;1-2H3/b7-4-,8-5-,10-9+;
InChIKeyWDTYDVDROTUBRQ-VZCUHEIGSA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-[(Z)-prop-1-enyl]hex-4-en-3-imine?
The IUPAC name of ethane;(Z)-N-[(Z)-prop-1-enyl]hex-4-en-3-imine (CID 143700534) is ethane;(Z)-N-[(Z)-prop-1-enyl]hex-4-en-3-imine.
What is the SMILES notation for ethane;(Z)-N-[(Z)-prop-1-enyl]hex-4-en-3-imine?
The canonical SMILES for ethane;(Z)-N-[(Z)-prop-1-enyl]hex-4-en-3-imine is C/C=C\N=C(\C=C/C)CC.CC.
What is the InChIKey of ethane;(Z)-N-[(Z)-prop-1-enyl]hex-4-en-3-imine?
The InChIKey is WDTYDVDROTUBRQ-VZCUHEIGSA-N. The full InChI is InChI=1S/C9H15N.C2H6/c1-4-7-9(6-3)10-8-5-2;1-2/h4-5,7-8H,6H2,1-3H3;1-2H3/b7-4-,8-5-,10-9+;.
What are the key properties of ethane;(Z)-N-[(Z)-prop-1-enyl]hex-4-en-3-imine?
ethane;(Z)-N-[(Z)-prop-1-enyl]hex-4-en-3-imine has a molecular weight of 167.30 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-[(Z)-prop-1-enyl]hex-4-en-3-imine is sourced from PubChem (CID 143700534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).