N-[(3Z)-penta-1,3-dien-2-yl]hexan-3-imine

C11H19N — CID 155331607

IUPACN-[(3Z)-penta-1,3-dien-2-yl]hexan-3-imine
SMILESC=C(/C=C\C)/N=C(\CC)CCC
InChIInChI=1S/C11H19N/c1-5-8-10(4)12-11(7-3)9-6-2/h5,8H,4,6-7,9H2,1-3H3/b8-5-,12-11+
InChIKeyKKLBLFMLNZFNGH-OUICKUJRSA-N
MW165.28 g/mol
LogP3.73
Rot. Bonds5

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

N-[(3Z)-penta-1,3-dien-2-yl]hexan-3-imine (PubChem CID 155331607) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(3Z)-penta-1,3-dien-2-yl]hexan-3-imine.

Molecular Properties

Compound NameN-[(3Z)-penta-1,3-dien-2-yl]hexan-3-imine
PubChem CID155331607
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(3Z)-penta-1,3-dien-2-yl]hexan-3-imine
SMILESC=C(/C=C\C)/N=C(\CC)CCC
InChIInChI=1S/C11H19N/c1-5-8-10(4)12-11(7-3)9-6-2/h5,8H,4,6-7,9H2,1-3H3/b8-5-,12-11+
InChIKeyKKLBLFMLNZFNGH-OUICKUJRSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.73
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-[(2Z)-5-methylhexa-2,4-dien-2-yl]pentan-3-imine
CID 89208294
N-[(2E)-penta-2,4-dien-2-yl]propan-2-imine
CID 122550271
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
N-buta-1,3-dien-2-ylbutan-2-imine
CID 123775878
N-penta-1,3-dien-2-ylpropan-2-imine
CID 123984668
N-[(2Z)-penta-2,4-dien-2-yl]propan-2-imine
CID 126657047
N-[(2Z)-penta-2,4-dien-2-yl]butan-2-imine
CID 126757784
N-[(2Z,4Z)-hexa-2,4-dien-2-yl]propan-2-imine
CID 129206947
N-[(3Z,5E)-hepta-1,3,5-trien-4-yl]-3,3-dimethylbutan-2-imine
CID 130272002
N-[(2Z)-penta-2,4-dien-2-yl]pentan-2-imine
CID 134525835
N-[(Z)-but-2-en-2-yl]propan-2-imine;hexane
CID 141873856

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-penta-1,3-dien-2-yl]hexan-3-imine?
The IUPAC name of N-[(3Z)-penta-1,3-dien-2-yl]hexan-3-imine (CID 155331607) is N-[(3Z)-penta-1,3-dien-2-yl]hexan-3-imine.
What is the SMILES notation for N-[(3Z)-penta-1,3-dien-2-yl]hexan-3-imine?
The canonical SMILES for N-[(3Z)-penta-1,3-dien-2-yl]hexan-3-imine is C=C(/C=C\C)/N=C(\CC)CCC.
What is the InChIKey of N-[(3Z)-penta-1,3-dien-2-yl]hexan-3-imine?
The InChIKey is KKLBLFMLNZFNGH-OUICKUJRSA-N. The full InChI is InChI=1S/C11H19N/c1-5-8-10(4)12-11(7-3)9-6-2/h5,8H,4,6-7,9H2,1-3H3/b8-5-,12-11+.
What are the key properties of N-[(3Z)-penta-1,3-dien-2-yl]hexan-3-imine?
N-[(3Z)-penta-1,3-dien-2-yl]hexan-3-imine has a molecular weight of 165.28 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-penta-1,3-dien-2-yl]hexan-3-imine is sourced from PubChem (CID 155331607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).