N-butan-2-yl-N,N'-dimethylmethanimidamide

C7H16N2 — CID 91590977

IUPACN-butan-2-yl-N,N'-dimethylmethanimidamide
SMILESCCC(C)N(C)/C=N/C
InChIInChI=1S/C7H16N2/c1-5-7(2)9(4)6-8-3/h6-7H,5H2,1-4H3/b8-6+
InChIKeyDWXUWDBUTMSMDX-SOFGYWHQSA-N
MW128.22 g/mol
LogP1.37
Rot. Bonds3

About N-butan-2-yl-N,N'-dimethylmethanimidamide

N-butan-2-yl-N,N'-dimethylmethanimidamide (PubChem CID 91590977) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N-butan-2-yl-N,N'-dimethylmethanimidamide.

Molecular Properties

Compound NameN-butan-2-yl-N,N'-dimethylmethanimidamide
PubChem CID91590977
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN-butan-2-yl-N,N'-dimethylmethanimidamide
SMILESCCC(C)N(C)/C=N/C
InChIInChI=1S/C7H16N2/c1-5-7(2)9(4)6-8-3/h6-7H,5H2,1-4H3/b8-6+
InChIKeyDWXUWDBUTMSMDX-SOFGYWHQSA-N
XLogP1.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.37
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-butan-2-yl-N,N'-dimethylmethanimidamide?
The IUPAC name of N-butan-2-yl-N,N'-dimethylmethanimidamide (CID 91590977) is N-butan-2-yl-N,N'-dimethylmethanimidamide.
What is the SMILES notation for N-butan-2-yl-N,N'-dimethylmethanimidamide?
The canonical SMILES for N-butan-2-yl-N,N'-dimethylmethanimidamide is CCC(C)N(C)/C=N/C.
What is the InChIKey of N-butan-2-yl-N,N'-dimethylmethanimidamide?
The InChIKey is DWXUWDBUTMSMDX-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H16N2/c1-5-7(2)9(4)6-8-3/h6-7H,5H2,1-4H3/b8-6+.
What are the key properties of N-butan-2-yl-N,N'-dimethylmethanimidamide?
N-butan-2-yl-N,N'-dimethylmethanimidamide has a molecular weight of 128.22 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N,N'-dimethylmethanimidamide is sourced from PubChem (CID 91590977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).