N'-[(3E)-hexa-3,5-dien-3-yl]methanimidamide

C7H12N2 — CID 143487526

IUPACN'-[(3E)-hexa-3,5-dien-3-yl]methanimidamide
SMILESC=C/C=C(CC)/N=C/N
InChIInChI=1S/C7H12N2/c1-3-5-7(4-2)9-6-8/h3,5-6H,1,4H2,2H3,(H2,8,9)/b7-5+
InChIKeyHBZFPYUOPFDBEP-FNORWQNLSA-N
MW124.19 g/mol
LogP1.45
Rot. Bonds3

About N'-[(3E)-hexa-3,5-dien-3-yl]methanimidamide

N'-[(3E)-hexa-3,5-dien-3-yl]methanimidamide (PubChem CID 143487526) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N'-[(3E)-hexa-3,5-dien-3-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(3E)-hexa-3,5-dien-3-yl]methanimidamide
PubChem CID143487526
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN'-[(3E)-hexa-3,5-dien-3-yl]methanimidamide
SMILESC=C/C=C(CC)/N=C/N
InChIInChI=1S/C7H12N2/c1-3-5-7(4-2)9-6-8/h3,5-6H,1,4H2,2H3,(H2,8,9)/b7-5+
InChIKeyHBZFPYUOPFDBEP-FNORWQNLSA-N
XLogP1.45
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-[(3Z,5Z)-8,8-difluoroocta-1,3,5-trien-3-yl]methanimidamide
CID 164558249
N'-[(2E,4Z)-3-ethenylhepta-2,4-dien-2-yl]methanimidamide
CID 88262945
N'-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]methanimidamide
CID 88885628
N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]methanimidamide
CID 88940713
N'-[(2Z,4Z)-hexa-2,4-dien-2-yl]methanimidamide
CID 88952109
N'-[(E)-hex-3-en-3-yl]methanimidamide
CID 89423506
4-Ethyl-1,3-diazacyclohepta-2,4,6,7-tetraene
CID 91157006
N'-[(2Z)-penta-2,4-dien-2-yl]methanimidamide
CID 117919184
N'-[(Z)-hex-2-en-2-yl]methanimidamide
CID 118151912
N'-[(Z)-pent-2-en-3-yl]methanimidamide
CID 121462325
N'-[(Z)-pent-2-en-2-yl]methanimidamide
CID 123377787
N'-pent-2-en-2-ylmethanimidamide
CID 123817871

Frequently Asked Questions

What is the IUPAC name of N'-[(3E)-hexa-3,5-dien-3-yl]methanimidamide?
The IUPAC name of N'-[(3E)-hexa-3,5-dien-3-yl]methanimidamide (CID 143487526) is N'-[(3E)-hexa-3,5-dien-3-yl]methanimidamide.
What is the SMILES notation for N'-[(3E)-hexa-3,5-dien-3-yl]methanimidamide?
The canonical SMILES for N'-[(3E)-hexa-3,5-dien-3-yl]methanimidamide is C=C/C=C(CC)/N=C/N.
What is the InChIKey of N'-[(3E)-hexa-3,5-dien-3-yl]methanimidamide?
The InChIKey is HBZFPYUOPFDBEP-FNORWQNLSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-5-7(4-2)9-6-8/h3,5-6H,1,4H2,2H3,(H2,8,9)/b7-5+.
What are the key properties of N'-[(3E)-hexa-3,5-dien-3-yl]methanimidamide?
N'-[(3E)-hexa-3,5-dien-3-yl]methanimidamide has a molecular weight of 124.19 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3E)-hexa-3,5-dien-3-yl]methanimidamide is sourced from PubChem (CID 143487526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).