ethane;N-[(1Z,3E)-hexa-1,3-dienyl]propan-2-imine

C11H21N — CID 145278225

IUPACethane;N-[(1Z,3E)-hexa-1,3-dienyl]propan-2-imine
SMILESCC.CC/C=C/C=C\N=C(C)C
InChIInChI=1S/C9H15N.C2H6/c1-4-5-6-7-8-10-9(2)3;1-2/h5-8H,4H2,1-3H3;1-2H3/b6-5+,8-7-;
InChIKeyLZSKPXAUKGGMFL-YLZQMSMDSA-N
MW167.30 g/mol
LogP3.97
Rot. Bonds3

About ethane;N-[(1Z,3E)-hexa-1,3-dienyl]propan-2-imine

ethane;N-[(1Z,3E)-hexa-1,3-dienyl]propan-2-imine (PubChem CID 145278225) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is ethane;N-[(1Z,3E)-hexa-1,3-dienyl]propan-2-imine.

Molecular Properties

Compound Nameethane;N-[(1Z,3E)-hexa-1,3-dienyl]propan-2-imine
PubChem CID145278225
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Nameethane;N-[(1Z,3E)-hexa-1,3-dienyl]propan-2-imine
SMILESCC.CC/C=C/C=C\N=C(C)C
InChIInChI=1S/C9H15N.C2H6/c1-4-5-6-7-8-10-9(2)3;1-2/h5-8H,4H2,1-3H3;1-2H3/b6-5+,8-7-;
InChIKeyLZSKPXAUKGGMFL-YLZQMSMDSA-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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-but-1-enyl]propan-2-imine;ethane
CID 145419661
N-[(1E,3Z)-6-methylocta-1,3-dienyl]propan-2-imine
CID 134526770
ethane;(3Z,5Z)-octa-3,5-diene
CID 142104932
(5E)-octa-3,5-diene
CID 173104147
ethane;N-[(1Z,3Z)-hexa-1,3-dienyl]ethanimine
CID 143330512
N-hexa-1,3-dienylmethanimine
CID 123963868
N-[(Z)-pent-1-enyl]propan-2-imine
CID 145467907
N'-[(E)-but-1-enyl]-N-propan-2-ylideneethanimidamide
CID 155443629
(3Z,5E)-octa-3,5-dien-2-one
CID 6428552
ethane;(2E,4Z)-hepta-2,4-dien-2-ol
CID 142115176
(4Z,6Z)-3-[(Z)-but-2-enyl]-N-[(Z)-prop-1-enyl]nona-4,6-dien-2-imine
CID 155108594
(Z)-N-methyl-3-(propan-2-ylideneamino)prop-2-en-1-amine
CID 167287780

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1Z,3E)-hexa-1,3-dienyl]propan-2-imine?
The IUPAC name of ethane;N-[(1Z,3E)-hexa-1,3-dienyl]propan-2-imine (CID 145278225) is ethane;N-[(1Z,3E)-hexa-1,3-dienyl]propan-2-imine.
What is the SMILES notation for ethane;N-[(1Z,3E)-hexa-1,3-dienyl]propan-2-imine?
The canonical SMILES for ethane;N-[(1Z,3E)-hexa-1,3-dienyl]propan-2-imine is CC.CC/C=C/C=C\N=C(C)C.
What is the InChIKey of ethane;N-[(1Z,3E)-hexa-1,3-dienyl]propan-2-imine?
The InChIKey is LZSKPXAUKGGMFL-YLZQMSMDSA-N. The full InChI is InChI=1S/C9H15N.C2H6/c1-4-5-6-7-8-10-9(2)3;1-2/h5-8H,4H2,1-3H3;1-2H3/b6-5+,8-7-;.
What are the key properties of ethane;N-[(1Z,3E)-hexa-1,3-dienyl]propan-2-imine?
ethane;N-[(1Z,3E)-hexa-1,3-dienyl]propan-2-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;N-[(1Z,3E)-hexa-1,3-dienyl]propan-2-imine is sourced from PubChem (CID 145278225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).