N'-(3-methylbut-1-en-2-yl)methanimidamide

C6H12N2 — CID 144671964

IUPACN'-(3-methylbut-1-en-2-yl)methanimidamide
SMILESC=C(/N=C/N)C(C)C
InChIInChI=1S/C6H12N2/c1-5(2)6(3)8-4-7/h4-5H,3H2,1-2H3,(H2,7,8)
InChIKeyRBMLAMLNXGSVMJ-UHFFFAOYSA-N
MW112.18 g/mol
LogP1.14
Rot. Bonds2

About N'-(3-methylbut-1-en-2-yl)methanimidamide

N'-(3-methylbut-1-en-2-yl)methanimidamide (PubChem CID 144671964) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N'-(3-methylbut-1-en-2-yl)methanimidamide.

Molecular Properties

Compound NameN'-(3-methylbut-1-en-2-yl)methanimidamide
PubChem CID144671964
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN'-(3-methylbut-1-en-2-yl)methanimidamide
SMILESC=C(/N=C/N)C(C)C
InChIInChI=1S/C6H12N2/c1-5(2)6(3)8-4-7/h4-5H,3H2,1-2H3,(H2,7,8)
InChIKeyRBMLAMLNXGSVMJ-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
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'-prop-1-en-2-ylmethanimidamide
CID 15791485
N'-[(Z)-1-iodo-3-methylbut-1-en-2-yl]methanimidamide
CID 89085157
N'-methyl-N-(3-methylbut-1-en-2-yl)methanimidamide
CID 89281937
N'-[(E)-hex-3-en-3-yl]methanimidamide
CID 89423506
N'-[(Z)-pent-2-en-3-yl]methanimidamide
CID 121462325
N'-(3-methylbuta-1,3-dien-2-yl)methanimidamide
CID 123139579
N'-[(Z)-pent-2-en-2-yl]methanimidamide
CID 123377787
1-Methylidene-2-prop-1-en-2-ylguanidine
CID 123445193
N'-but-1-en-2-yl-N-methylidenemethanimidamide
CID 123772088
N'-pent-2-en-2-ylmethanimidamide
CID 123817871
2-(3-Methylbut-1-en-2-yl)guanidine
CID 129238446
N'-[(E)-2-aminobut-1-enyl]methanimidamide
CID 130373839

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbut-1-en-2-yl)methanimidamide?
The IUPAC name of N'-(3-methylbut-1-en-2-yl)methanimidamide (CID 144671964) is N'-(3-methylbut-1-en-2-yl)methanimidamide.
What is the SMILES notation for N'-(3-methylbut-1-en-2-yl)methanimidamide?
The canonical SMILES for N'-(3-methylbut-1-en-2-yl)methanimidamide is C=C(/N=C/N)C(C)C.
What is the InChIKey of N'-(3-methylbut-1-en-2-yl)methanimidamide?
The InChIKey is RBMLAMLNXGSVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-5(2)6(3)8-4-7/h4-5H,3H2,1-2H3,(H2,7,8).
What are the key properties of N'-(3-methylbut-1-en-2-yl)methanimidamide?
N'-(3-methylbut-1-en-2-yl)methanimidamide has a molecular weight of 112.18 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbut-1-en-2-yl)methanimidamide is sourced from PubChem (CID 144671964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).