N'-[(E)-hex-3-en-3-yl]methanimidamide

C7H14N2 — CID 89423506

IUPACN'-[(E)-hex-3-en-3-yl]methanimidamide
SMILESCC/C=C(CC)/N=C/N
InChIInChI=1S/C7H14N2/c1-3-5-7(4-2)9-6-8/h5-6H,3-4H2,1-2H3,(H2,8,9)/b7-5+
InChIKeyHFPRKTKNYYUFMP-FNORWQNLSA-N
MW126.20 g/mol
LogP1.68
Rot. Bonds3

About N'-[(E)-hex-3-en-3-yl]methanimidamide

N'-[(E)-hex-3-en-3-yl]methanimidamide (PubChem CID 89423506) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N'-[(E)-hex-3-en-3-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(E)-hex-3-en-3-yl]methanimidamide
PubChem CID89423506
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN'-[(E)-hex-3-en-3-yl]methanimidamide
SMILESCC/C=C(CC)/N=C/N
InChIInChI=1S/C7H14N2/c1-3-5-7(4-2)9-6-8/h5-6H,3-4H2,1-2H3,(H2,8,9)/b7-5+
InChIKeyHFPRKTKNYYUFMP-FNORWQNLSA-N
XLogP1.68
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.68
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'}

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Related Compounds

N'-[(Z)-1,1,1-trifluoropent-2-en-2-yl]methanimidamide
CID 163657041
N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]methanimidamide
CID 88940713
CID 91157005
CID 91157005
2-[(E)-but-2-en-2-yl]-1-methylideneguanidine
CID 91577824
N'-[(Z)-hex-2-en-2-yl]methanimidamide
CID 118151912
N'-[(Z)-pent-2-en-3-yl]methanimidamide
CID 121462325
N'-[(E)-but-2-en-2-yl]methanimidamide
CID 123223084
N'-[(Z)-pent-2-en-2-yl]methanimidamide
CID 123377787
N'-pent-2-en-2-ylmethanimidamide
CID 123817871
N'-[(Z)-but-2-en-2-yl]methanimidamide
CID 123841719
N'-[(3E,5Z)-nona-3,5,7-trien-3-yl]methanimidamide
CID 123925467
N'-[(3Z)-hexa-3,5-dien-3-yl]methanimidamide
CID 124132440

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-hex-3-en-3-yl]methanimidamide?
The IUPAC name of N'-[(E)-hex-3-en-3-yl]methanimidamide (CID 89423506) is N'-[(E)-hex-3-en-3-yl]methanimidamide.
What is the SMILES notation for N'-[(E)-hex-3-en-3-yl]methanimidamide?
The canonical SMILES for N'-[(E)-hex-3-en-3-yl]methanimidamide is CC/C=C(CC)/N=C/N.
What is the InChIKey of N'-[(E)-hex-3-en-3-yl]methanimidamide?
The InChIKey is HFPRKTKNYYUFMP-FNORWQNLSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-5-7(4-2)9-6-8/h5-6H,3-4H2,1-2H3,(H2,8,9)/b7-5+.
What are the key properties of N'-[(E)-hex-3-en-3-yl]methanimidamide?
N'-[(E)-hex-3-en-3-yl]methanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-hex-3-en-3-yl]methanimidamide is sourced from PubChem (CID 89423506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).