ethane;N-[(3Z)-penta-1,3-dien-2-yl]propan-2-imine

C10H19N — CID 145049173

IUPACethane;N-[(3Z)-penta-1,3-dien-2-yl]propan-2-imine
SMILESC=C(/C=C\C)N=C(C)C.CC
InChIInChI=1S/C8H13N.C2H6/c1-5-6-8(4)9-7(2)3;1-2/h5-6H,4H2,1-3H3;1-2H3/b6-5-;
InChIKeySHYXMEAFHLZRLJ-YSMBQZINSA-N
MW153.27 g/mol
LogP3.58
Rot. Bonds2

About ethane;N-[(3Z)-penta-1,3-dien-2-yl]propan-2-imine

ethane;N-[(3Z)-penta-1,3-dien-2-yl]propan-2-imine (PubChem CID 145049173) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is ethane;N-[(3Z)-penta-1,3-dien-2-yl]propan-2-imine.

Molecular Properties

Compound Nameethane;N-[(3Z)-penta-1,3-dien-2-yl]propan-2-imine
PubChem CID145049173
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Nameethane;N-[(3Z)-penta-1,3-dien-2-yl]propan-2-imine
SMILESC=C(/C=C\C)N=C(C)C.CC
InChIInChI=1S/C8H13N.C2H6/c1-5-6-8(4)9-7(2)3;1-2/h5-6H,4H2,1-3H3;1-2H3/b6-5-;
InChIKeySHYXMEAFHLZRLJ-YSMBQZINSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.58
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-[(3E)-3-fluoropenta-1,3-dien-2-yl]propan-2-imine
CID 123336614
N-[(2Z)-4-fluoropenta-2,4-dien-2-yl]propan-2-imine
CID 142050176
N-[(3E)-4-fluorohexa-1,3,5-trien-3-yl]propan-2-imine
CID 155050623
N-[(3Z)-hexa-1,3-dien-2-yl]propan-2-imine
CID 88874599
(2Z)-2-[(Z)-but-2-enylidene]pyridine
CID 117742817
N-[(2E)-penta-2,4-dien-2-yl]propan-2-imine
CID 122550271
(Z)-N-[(3Z)-hexa-1,3-dien-2-yl]hex-3-en-2-imine
CID 123288448
N-[(2Z,4Z)-octa-2,4-dien-3-yl]propan-2-imine
CID 123306984
N-[(3Z)-penta-1,3-dien-2-yl]propan-2-imine
CID 123334975
N-[(3Z)-penta-1,3-dien-2-yl]butan-2-imine
CID 123375579
(4Z)-N-[(2E,4E)-octa-2,4,6-trien-4-yl]hepta-1,4-dien-3-imine
CID 123379230
N-buta-1,3-dien-2-ylpropan-2-imine
CID 123413006

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(3Z)-penta-1,3-dien-2-yl]propan-2-imine?
The IUPAC name of ethane;N-[(3Z)-penta-1,3-dien-2-yl]propan-2-imine (CID 145049173) is ethane;N-[(3Z)-penta-1,3-dien-2-yl]propan-2-imine.
What is the SMILES notation for ethane;N-[(3Z)-penta-1,3-dien-2-yl]propan-2-imine?
The canonical SMILES for ethane;N-[(3Z)-penta-1,3-dien-2-yl]propan-2-imine is C=C(/C=C\C)N=C(C)C.CC.
What is the InChIKey of ethane;N-[(3Z)-penta-1,3-dien-2-yl]propan-2-imine?
The InChIKey is SHYXMEAFHLZRLJ-YSMBQZINSA-N. The full InChI is InChI=1S/C8H13N.C2H6/c1-5-6-8(4)9-7(2)3;1-2/h5-6H,4H2,1-3H3;1-2H3/b6-5-;.
What are the key properties of ethane;N-[(3Z)-penta-1,3-dien-2-yl]propan-2-imine?
ethane;N-[(3Z)-penta-1,3-dien-2-yl]propan-2-imine has a molecular weight of 153.27 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(3Z)-penta-1,3-dien-2-yl]propan-2-imine is sourced from PubChem (CID 145049173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).