N-but-3-yn-2-yl-N,N'-dimethylmethanimidamide

C7H12N2 — CID 58153501

IUPACN-but-3-yn-2-yl-N,N'-dimethylmethanimidamide
SMILESC#CC(C)N(C)/C=N/C
InChIInChI=1S/C7H12N2/c1-5-7(2)9(4)6-8-3/h1,6-7H,2-4H3/b8-6+
InChIKeyFQVHSAWJGSDKOC-SOFGYWHQSA-N
MW124.19 g/mol
LogP0.60
Rot. Bonds2

About N-but-3-yn-2-yl-N,N'-dimethylmethanimidamide

N-but-3-yn-2-yl-N,N'-dimethylmethanimidamide (PubChem CID 58153501) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-but-3-yn-2-yl-N,N'-dimethylmethanimidamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-N,N'-dimethylmethanimidamide
PubChem CID58153501
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-but-3-yn-2-yl-N,N'-dimethylmethanimidamide
SMILESC#CC(C)N(C)/C=N/C
InChIInChI=1S/C7H12N2/c1-5-7(2)9(4)6-8-3/h1,6-7H,2-4H3/b8-6+
InChIKeyFQVHSAWJGSDKOC-SOFGYWHQSA-N
XLogP0.60
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.60
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-N,N'-dimethylmethanimidamide?
The IUPAC name of N-but-3-yn-2-yl-N,N'-dimethylmethanimidamide (CID 58153501) is N-but-3-yn-2-yl-N,N'-dimethylmethanimidamide.
What is the SMILES notation for N-but-3-yn-2-yl-N,N'-dimethylmethanimidamide?
The canonical SMILES for N-but-3-yn-2-yl-N,N'-dimethylmethanimidamide is C#CC(C)N(C)/C=N/C.
What is the InChIKey of N-but-3-yn-2-yl-N,N'-dimethylmethanimidamide?
The InChIKey is FQVHSAWJGSDKOC-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H12N2/c1-5-7(2)9(4)6-8-3/h1,6-7H,2-4H3/b8-6+.
What are the key properties of N-but-3-yn-2-yl-N,N'-dimethylmethanimidamide?
N-but-3-yn-2-yl-N,N'-dimethylmethanimidamide has a molecular weight of 124.19 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-N,N'-dimethylmethanimidamide is sourced from PubChem (CID 58153501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).