N-[(2Z)-penta-2,4-dien-2-yl]pentan-2-imine

C10H17N — CID 134525835

IUPACN-[(2Z)-penta-2,4-dien-2-yl]pentan-2-imine
SMILESC=C/C=C(C)\N=C(/C)CCC
InChIInChI=1S/C10H17N/c1-5-7-9(3)11-10(4)8-6-2/h5,7H,1,6,8H2,2-4H3/b9-7-,11-10+
InChIKeyKIEBPVORWICRTO-NKTIYDDZSA-N
MW151.25 g/mol
LogP3.34
Rot. Bonds4

About N-[(2Z)-penta-2,4-dien-2-yl]pentan-2-imine

N-[(2Z)-penta-2,4-dien-2-yl]pentan-2-imine (PubChem CID 134525835) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-[(2Z)-penta-2,4-dien-2-yl]pentan-2-imine.

Molecular Properties

Compound NameN-[(2Z)-penta-2,4-dien-2-yl]pentan-2-imine
PubChem CID134525835
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-[(2Z)-penta-2,4-dien-2-yl]pentan-2-imine
SMILESC=C/C=C(C)\N=C(/C)CCC
InChIInChI=1S/C10H17N/c1-5-7-9(3)11-10(4)8-6-2/h5,7H,1,6,8H2,2-4H3/b9-7-,11-10+
InChIKeyKIEBPVORWICRTO-NKTIYDDZSA-N
XLogP3.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.34
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-[(E)-but-2-en-2-yl]butan-2-imine
CID 12603156
N-[(Z)-but-2-en-2-yl]butan-2-imine
CID 12603157
N-but-2-en-2-ylbutan-2-imine
CID 53948891
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
3,3-dimethyl-N-[(2Z)-penta-2,4-dien-2-yl]butan-2-imine
CID 129132599

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-penta-2,4-dien-2-yl]pentan-2-imine?
The IUPAC name of N-[(2Z)-penta-2,4-dien-2-yl]pentan-2-imine (CID 134525835) is N-[(2Z)-penta-2,4-dien-2-yl]pentan-2-imine.
What is the SMILES notation for N-[(2Z)-penta-2,4-dien-2-yl]pentan-2-imine?
The canonical SMILES for N-[(2Z)-penta-2,4-dien-2-yl]pentan-2-imine is C=C/C=C(C)\N=C(/C)CCC.
What is the InChIKey of N-[(2Z)-penta-2,4-dien-2-yl]pentan-2-imine?
The InChIKey is KIEBPVORWICRTO-NKTIYDDZSA-N. The full InChI is InChI=1S/C10H17N/c1-5-7-9(3)11-10(4)8-6-2/h5,7H,1,6,8H2,2-4H3/b9-7-,11-10+.
What are the key properties of N-[(2Z)-penta-2,4-dien-2-yl]pentan-2-imine?
N-[(2Z)-penta-2,4-dien-2-yl]pentan-2-imine has a molecular weight of 151.25 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-penta-2,4-dien-2-yl]pentan-2-imine is sourced from PubChem (CID 134525835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).