N-but-1-enyl-N-methylmethanimidamide

C6H12N2 — CID 123667804

IUPACN-but-1-enyl-N-methylmethanimidamide
SMILES[H]/N=C/N(C)C=CCC
InChIInChI=1S/C6H12N2/c1-3-4-5-8(2)6-7/h4-7H,3H2,1-2H3/b5-4?,7-6+
InChIKeyTVOITQIPGMJLCS-VFABXPAXSA-N
MW112.18 g/mol
LogP1.45
Rot. Bonds3

About N-but-1-enyl-N-methylmethanimidamide

N-but-1-enyl-N-methylmethanimidamide (PubChem CID 123667804) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-but-1-enyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN-but-1-enyl-N-methylmethanimidamide
PubChem CID123667804
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-but-1-enyl-N-methylmethanimidamide
SMILES[H]/N=C/N(C)C=CCC
InChIInChI=1S/C6H12N2/c1-3-4-5-8(2)6-7/h4-7H,3H2,1-2H3/b5-4?,7-6+
InChIKeyTVOITQIPGMJLCS-VFABXPAXSA-N
XLogP1.45
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.45
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-but-1-enyl-N-methylmethanimidamide?
The IUPAC name of N-but-1-enyl-N-methylmethanimidamide (CID 123667804) is N-but-1-enyl-N-methylmethanimidamide.
What is the SMILES notation for N-but-1-enyl-N-methylmethanimidamide?
The canonical SMILES for N-but-1-enyl-N-methylmethanimidamide is [H]/N=C/N(C)C=CCC.
What is the InChIKey of N-but-1-enyl-N-methylmethanimidamide?
The InChIKey is TVOITQIPGMJLCS-VFABXPAXSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-4-5-8(2)6-7/h4-7H,3H2,1-2H3/b5-4?,7-6+.
What are the key properties of N-but-1-enyl-N-methylmethanimidamide?
N-but-1-enyl-N-methylmethanimidamide has a molecular weight of 112.18 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-enyl-N-methylmethanimidamide is sourced from PubChem (CID 123667804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).