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

C10H21N — CID 143749300

IUPACethane;N-[(Z)-prop-1-enyl]pentan-3-imine
SMILESC/C=C\N=C(CC)CC.CC
InChIInChI=1S/C8H15N.C2H6/c1-4-7-9-8(5-2)6-3;1-2/h4,7H,5-6H2,1-3H3;1-2H3/b7-4-;
InChIKeyDMJCALYLKARTOI-ZULQGGHCSA-N
MW155.28 g/mol
LogP3.81
Rot. Bonds3

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

ethane;N-[(Z)-prop-1-enyl]pentan-3-imine (PubChem CID 143749300) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is ethane;N-[(Z)-prop-1-enyl]pentan-3-imine.

Molecular Properties

Compound Nameethane;N-[(Z)-prop-1-enyl]pentan-3-imine
PubChem CID143749300
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Nameethane;N-[(Z)-prop-1-enyl]pentan-3-imine
SMILESC/C=C\N=C(CC)CC.CC
InChIInChI=1S/C8H15N.C2H6/c1-4-7-9-8(5-2)6-3;1-2/h4,7H,5-6H2,1-3H3;1-2H3/b7-4-;
InChIKeyDMJCALYLKARTOI-ZULQGGHCSA-N
XLogP3.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-prop-1-enyl]pentan-3-imine?
The IUPAC name of ethane;N-[(Z)-prop-1-enyl]pentan-3-imine (CID 143749300) is ethane;N-[(Z)-prop-1-enyl]pentan-3-imine.
What is the SMILES notation for ethane;N-[(Z)-prop-1-enyl]pentan-3-imine?
The canonical SMILES for ethane;N-[(Z)-prop-1-enyl]pentan-3-imine is C/C=C\N=C(CC)CC.CC.
What is the InChIKey of ethane;N-[(Z)-prop-1-enyl]pentan-3-imine?
The InChIKey is DMJCALYLKARTOI-ZULQGGHCSA-N. The full InChI is InChI=1S/C8H15N.C2H6/c1-4-7-9-8(5-2)6-3;1-2/h4,7H,5-6H2,1-3H3;1-2H3/b7-4-;.
What are the key properties of ethane;N-[(Z)-prop-1-enyl]pentan-3-imine?
ethane;N-[(Z)-prop-1-enyl]pentan-3-imine has a molecular weight of 155.28 g/mol, XLogP of 3.81, 3 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]pentan-3-imine is sourced from PubChem (CID 143749300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).