N,N'-bis(prop-1-en-2-yl)methanimidamide

C7H12N2 — CID 123891901

IUPACN,N'-bis(prop-1-en-2-yl)methanimidamide
SMILESC=C(C)/N=C/NC(=C)C
InChIInChI=1S/C7H12N2/c1-6(2)8-5-9-7(3)4/h5H,1,3H2,2,4H3,(H,8,9)
InChIKeyOOHADHSHUDSJTN-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.67
Rot. Bonds3

About N,N'-bis(prop-1-en-2-yl)methanimidamide

N,N'-bis(prop-1-en-2-yl)methanimidamide (PubChem CID 123891901) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N,N'-bis(prop-1-en-2-yl)methanimidamide.

Molecular Properties

Compound NameN,N'-bis(prop-1-en-2-yl)methanimidamide
PubChem CID123891901
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN,N'-bis(prop-1-en-2-yl)methanimidamide
SMILESC=C(C)/N=C/NC(=C)C
InChIInChI=1S/C7H12N2/c1-6(2)8-5-9-7(3)4/h5H,1,3H2,2,4H3,(H,8,9)
InChIKeyOOHADHSHUDSJTN-UHFFFAOYSA-N
XLogP1.67
TPSA24.39 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 ≤ 51.67
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)-3-fluorobut-2-en-2-yl]-N'-methylmethanimidamide
CID 123336063
N'-fluoro-N-prop-1-en-2-ylmethanimidamide
CID 173713590
N-[(E)-1-aminoprop-1-en-2-yl]-N'-(1-fluoroethyl)methanimidamide
CID 173795794
4-methyl-1H-imidazol-1-ium
CID 59048718
2-Methyl-1-prop-1-en-2-ylguanidine
CID 6713726
N'-prop-1-en-2-ylmethanimidamide
CID 15791485
6-Methyl-1,4-dihydropyrimidine
CID 19748724
1-methanidyl-4-methyl-1H-imidazol-1-ium
CID 21353566
Carbanide;5-methyl-1,4-dihydroimidazol-4-ide;tungsten(2+)
CID 54681562
1,3,5-trimethyl-1H-imidazole-1,3-diium
CID 58187923
N-but-2-en-2-yl-N'-methylmethanimidamide
CID 59874817
1,4-dimethyl-1H-imidazol-1-ium
CID 59889377

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(prop-1-en-2-yl)methanimidamide?
The IUPAC name of N,N'-bis(prop-1-en-2-yl)methanimidamide (CID 123891901) is N,N'-bis(prop-1-en-2-yl)methanimidamide.
What is the SMILES notation for N,N'-bis(prop-1-en-2-yl)methanimidamide?
The canonical SMILES for N,N'-bis(prop-1-en-2-yl)methanimidamide is C=C(C)/N=C/NC(=C)C.
What is the InChIKey of N,N'-bis(prop-1-en-2-yl)methanimidamide?
The InChIKey is OOHADHSHUDSJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6(2)8-5-9-7(3)4/h5H,1,3H2,2,4H3,(H,8,9).
What are the key properties of N,N'-bis(prop-1-en-2-yl)methanimidamide?
N,N'-bis(prop-1-en-2-yl)methanimidamide has a molecular weight of 124.19 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(prop-1-en-2-yl)methanimidamide is sourced from PubChem (CID 123891901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).