N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]cyclopropanecarboximidamide

C12H20N2 — CID 167004004

IUPACN-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]cyclopropanecarboximidamide
SMILESC=N/C(=N\C=C(/C)C(C)(C)C)C1CC1
InChIInChI=1S/C12H20N2/c1-9(12(2,3)4)8-14-11(13-5)10-6-7-10/h8,10H,5-7H2,1-4H3/b9-8+,14-11-
InChIKeyIFDJXUONKZKWRO-LSHJULRISA-N
MW192.31 g/mol
LogP3.45
Rot. Bonds2

About N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]cyclopropanecarboximidamide

N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]cyclopropanecarboximidamide (PubChem CID 167004004) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]cyclopropanecarboximidamide.

Molecular Properties

Compound NameN-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]cyclopropanecarboximidamide
PubChem CID167004004
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]cyclopropanecarboximidamide
SMILESC=N/C(=N\C=C(/C)C(C)(C)C)C1CC1
InChIInChI=1S/C12H20N2/c1-9(12(2,3)4)8-14-11(13-5)10-6-7-10/h8,10H,5-7H2,1-4H3/b9-8+,14-11-
InChIKeyIFDJXUONKZKWRO-LSHJULRISA-N
XLogP3.45
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.45
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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Frequently Asked Questions

What is the IUPAC name of N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]cyclopropanecarboximidamide?
The IUPAC name of N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]cyclopropanecarboximidamide (CID 167004004) is N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]cyclopropanecarboximidamide.
What is the SMILES notation for N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]cyclopropanecarboximidamide?
The canonical SMILES for N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]cyclopropanecarboximidamide is C=N/C(=N\C=C(/C)C(C)(C)C)C1CC1.
What is the InChIKey of N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]cyclopropanecarboximidamide?
The InChIKey is IFDJXUONKZKWRO-LSHJULRISA-N. The full InChI is InChI=1S/C12H20N2/c1-9(12(2,3)4)8-14-11(13-5)10-6-7-10/h8,10H,5-7H2,1-4H3/b9-8+,14-11-.
What are the key properties of N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]cyclopropanecarboximidamide?
N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]cyclopropanecarboximidamide has a molecular weight of 192.31 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]cyclopropanecarboximidamide is sourced from PubChem (CID 167004004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).