N'-pent-2-en-2-ylmethanimidamide

C6H12N2 — CID 123817871

IUPACN'-pent-2-en-2-ylmethanimidamide
SMILESCCC=C(C)/N=C/N
InChIInChI=1S/C6H12N2/c1-3-4-6(2)8-5-7/h4-5H,3H2,1-2H3,(H2,7,8)
InChIKeyXXCIIHPKSWXQHY-UHFFFAOYSA-N
MW112.18 g/mol
LogP1.29
Rot. Bonds2

About N'-pent-2-en-2-ylmethanimidamide

N'-pent-2-en-2-ylmethanimidamide (PubChem CID 123817871) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N'-pent-2-en-2-ylmethanimidamide.

Molecular Properties

Compound NameN'-pent-2-en-2-ylmethanimidamide
PubChem CID123817871
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN'-pent-2-en-2-ylmethanimidamide
SMILESCCC=C(C)/N=C/N
InChIInChI=1S/C6H12N2/c1-3-4-6(2)8-5-7/h4-5H,3H2,1-2H3,(H2,7,8)
InChIKeyXXCIIHPKSWXQHY-UHFFFAOYSA-N
XLogP1.29
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.29
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
N'-[(E)-hex-3-en-3-yl]methanimidamide
CID 89423506
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'-[(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'-pent-2-en-2-ylmethanimidamide?
The IUPAC name of N'-pent-2-en-2-ylmethanimidamide (CID 123817871) is N'-pent-2-en-2-ylmethanimidamide.
What is the SMILES notation for N'-pent-2-en-2-ylmethanimidamide?
The canonical SMILES for N'-pent-2-en-2-ylmethanimidamide is CCC=C(C)/N=C/N.
What is the InChIKey of N'-pent-2-en-2-ylmethanimidamide?
The InChIKey is XXCIIHPKSWXQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-4-6(2)8-5-7/h4-5H,3H2,1-2H3,(H2,7,8).
What are the key properties of N'-pent-2-en-2-ylmethanimidamide?
N'-pent-2-en-2-ylmethanimidamide has a molecular weight of 112.18 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pent-2-en-2-ylmethanimidamide is sourced from PubChem (CID 123817871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).