2,2-dimethyl-N-methylidene-N'-[(Z)-prop-1-enyl]propanimidamide

C9H16N2 — CID 126624382

IUPAC2,2-dimethyl-N-methylidene-N'-[(Z)-prop-1-enyl]propanimidamide
SMILESC=N/C(=N\C=C/C)C(C)(C)C
InChIInChI=1S/C9H16N2/c1-6-7-11-8(10-5)9(2,3)4/h6-7H,5H2,1-4H3/b7-6-,11-8-
InChIKeyDFFUOPBNYBFGFW-NJMVCRMVSA-N
MW152.24 g/mol
LogP2.67
Rot. Bonds1

About 2,2-dimethyl-N-methylidene-N'-[(Z)-prop-1-enyl]propanimidamide

2,2-dimethyl-N-methylidene-N'-[(Z)-prop-1-enyl]propanimidamide (PubChem CID 126624382) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,2-dimethyl-N-methylidene-N'-[(Z)-prop-1-enyl]propanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-N-methylidene-N'-[(Z)-prop-1-enyl]propanimidamide
PubChem CID126624382
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2,2-dimethyl-N-methylidene-N'-[(Z)-prop-1-enyl]propanimidamide
SMILESC=N/C(=N\C=C/C)C(C)(C)C
InChIInChI=1S/C9H16N2/c1-6-7-11-8(10-5)9(2,3)4/h6-7H,5H2,1-4H3/b7-6-,11-8-
InChIKeyDFFUOPBNYBFGFW-NJMVCRMVSA-N
XLogP2.67
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.67
H-Bond Donors ≤ 50
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'-ethenyl-N-ethylidene-2,2-dimethylpropanimidamide
CID 88949136
N,2,2-trimethyl-N'-[(Z)-prop-1-enyl]propane-1,3-diimine
CID 88972420
N'-[(1Z)-buta-1,3-dienyl]-2,2-dimethylpropanimidamide
CID 89170099
2-Tert-butyl-1,3-diazacyclohepta-2,4,6,7-tetraene
CID 124201303
2,2-dimethyl-N-methylidene-N'-(2-methylprop-1-enyl)propanimidamide
CID 126603063
N'-ethenyl-2,2-dimethyl-N-prop-2-enylidenepropanimidamide
CID 126693281
N-ethylidene-2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide
CID 130233735
3,3-dimethyl-N-methylidene-N'-[(Z)-prop-1-enyl]butanimidamide
CID 132134390
2-methyl-N-methylidene-N'-[(Z)-prop-1-enyl]propanimidamide
CID 139501924
ethane;N-ethylidene-N'-[(Z)-prop-1-enyl]methanimidamide
CID 141789034
ethane;N-ethylidene-N'-[(Z)-prop-1-enyl]ethanimidamide
CID 141827139
2,2-dimethyl-N-methylidene-N'-prop-1-en-2-ylpropanimidamide
CID 141872695

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-methylidene-N'-[(Z)-prop-1-enyl]propanimidamide?
The IUPAC name of 2,2-dimethyl-N-methylidene-N'-[(Z)-prop-1-enyl]propanimidamide (CID 126624382) is 2,2-dimethyl-N-methylidene-N'-[(Z)-prop-1-enyl]propanimidamide.
What is the SMILES notation for 2,2-dimethyl-N-methylidene-N'-[(Z)-prop-1-enyl]propanimidamide?
The canonical SMILES for 2,2-dimethyl-N-methylidene-N'-[(Z)-prop-1-enyl]propanimidamide is C=N/C(=N\C=C/C)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-methylidene-N'-[(Z)-prop-1-enyl]propanimidamide?
The InChIKey is DFFUOPBNYBFGFW-NJMVCRMVSA-N. The full InChI is InChI=1S/C9H16N2/c1-6-7-11-8(10-5)9(2,3)4/h6-7H,5H2,1-4H3/b7-6-,11-8-.
What are the key properties of 2,2-dimethyl-N-methylidene-N'-[(Z)-prop-1-enyl]propanimidamide?
2,2-dimethyl-N-methylidene-N'-[(Z)-prop-1-enyl]propanimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-methylidene-N'-[(Z)-prop-1-enyl]propanimidamide is sourced from PubChem (CID 126624382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).