N-methyl-N-(3-methylbut-1-enyl)methanimidamide

C7H14N2 — CID 90741388

IUPACN-methyl-N-(3-methylbut-1-enyl)methanimidamide
SMILES[H]/N=C/N(C)C=CC(C)C
InChIInChI=1S/C7H14N2/c1-7(2)4-5-9(3)6-8/h4-8H,1-3H3/b5-4?,8-6+
InChIKeyCMQWFQUKJSFKOT-MJZAGPDTSA-N
MW126.20 g/mol
LogP1.69
Rot. Bonds3

About N-methyl-N-(3-methylbut-1-enyl)methanimidamide

N-methyl-N-(3-methylbut-1-enyl)methanimidamide (PubChem CID 90741388) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-methyl-N-(3-methylbut-1-enyl)methanimidamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylbut-1-enyl)methanimidamide
PubChem CID90741388
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-methyl-N-(3-methylbut-1-enyl)methanimidamide
SMILES[H]/N=C/N(C)C=CC(C)C
InChIInChI=1S/C7H14N2/c1-7(2)4-5-9(3)6-8/h4-8H,1-3H3/b5-4?,8-6+
InChIKeyCMQWFQUKJSFKOT-MJZAGPDTSA-N
XLogP1.69
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.69
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbut-1-enyl)methanimidamide?
The IUPAC name of N-methyl-N-(3-methylbut-1-enyl)methanimidamide (CID 90741388) is N-methyl-N-(3-methylbut-1-enyl)methanimidamide.
What is the SMILES notation for N-methyl-N-(3-methylbut-1-enyl)methanimidamide?
The canonical SMILES for N-methyl-N-(3-methylbut-1-enyl)methanimidamide is [H]/N=C/N(C)C=CC(C)C.
What is the InChIKey of N-methyl-N-(3-methylbut-1-enyl)methanimidamide?
The InChIKey is CMQWFQUKJSFKOT-MJZAGPDTSA-N. The full InChI is InChI=1S/C7H14N2/c1-7(2)4-5-9(3)6-8/h4-8H,1-3H3/b5-4?,8-6+.
What are the key properties of N-methyl-N-(3-methylbut-1-enyl)methanimidamide?
N-methyl-N-(3-methylbut-1-enyl)methanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbut-1-enyl)methanimidamide is sourced from PubChem (CID 90741388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).