N'-[(3Z)-penta-1,3-dien-3-yl]methanimidamide

C6H10N2 — CID 143380127

IUPACN'-[(3Z)-penta-1,3-dien-3-yl]methanimidamide
SMILESC=CC(=C/C)/N=C/N
InChIInChI=1S/C6H10N2/c1-3-6(4-2)8-5-7/h3-5H,1H2,2H3,(H2,7,8)/b6-4-
InChIKeyIXDMEPUOWPSWQE-XQRVVYSFSA-N
MW110.16 g/mol
LogP1.06
Rot. Bonds2

About N'-[(3Z)-penta-1,3-dien-3-yl]methanimidamide

N'-[(3Z)-penta-1,3-dien-3-yl]methanimidamide (PubChem CID 143380127) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N'-[(3Z)-penta-1,3-dien-3-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(3Z)-penta-1,3-dien-3-yl]methanimidamide
PubChem CID143380127
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN'-[(3Z)-penta-1,3-dien-3-yl]methanimidamide
SMILESC=CC(=C/C)/N=C/N
InChIInChI=1S/C6H10N2/c1-3-6(4-2)8-5-7/h3-5H,1H2,2H3,(H2,7,8)/b6-4-
InChIKeyIXDMEPUOWPSWQE-XQRVVYSFSA-N
XLogP1.06
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.06
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

2-[(2E)-penta-2,4-dien-2-yl]guanidine
CID 58082055
N'-[(1E,3E,5Z)-1-chlorohepta-1,3,5-trien-4-yl]methanimidamide
CID 88578735
N'-[(2Z,4Z)-hexa-2,4-dien-2-yl]methanimidamide
CID 88952109
(1Z,3Z)-4-(methylideneamino)penta-1,3-dien-1-amine
CID 89029501
2-[(2E,4Z)-hexa-2,4-dien-3-yl]guanidine
CID 89171592
N'-[(1Z,3Z)-penta-1,3-dienyl]methanimidamide
CID 89357801
N'-[(3Z)-5-iodopenta-1,3-dien-2-yl]methanimidamide
CID 90337312
2-[(E)-but-2-en-2-yl]-1-methylideneguanidine
CID 91577824
N'-[(2Z)-penta-2,4-dien-2-yl]methanimidamide
CID 117919184
N'-penta-1,3-dienylmethanimidamide
CID 123153342
N'-[(E)-but-2-en-2-yl]methanimidamide
CID 123223084
N'-[(Z)-but-2-en-2-yl]methanimidamide
CID 123841719

Frequently Asked Questions

What is the IUPAC name of N'-[(3Z)-penta-1,3-dien-3-yl]methanimidamide?
The IUPAC name of N'-[(3Z)-penta-1,3-dien-3-yl]methanimidamide (CID 143380127) is N'-[(3Z)-penta-1,3-dien-3-yl]methanimidamide.
What is the SMILES notation for N'-[(3Z)-penta-1,3-dien-3-yl]methanimidamide?
The canonical SMILES for N'-[(3Z)-penta-1,3-dien-3-yl]methanimidamide is C=CC(=C/C)/N=C/N.
What is the InChIKey of N'-[(3Z)-penta-1,3-dien-3-yl]methanimidamide?
The InChIKey is IXDMEPUOWPSWQE-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-6(4-2)8-5-7/h3-5H,1H2,2H3,(H2,7,8)/b6-4-.
What are the key properties of N'-[(3Z)-penta-1,3-dien-3-yl]methanimidamide?
N'-[(3Z)-penta-1,3-dien-3-yl]methanimidamide has a molecular weight of 110.16 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z)-penta-1,3-dien-3-yl]methanimidamide is sourced from PubChem (CID 143380127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).