acetic acid;2-methylpropanimidamide

C6H14N2O2 — CID 86096375

IUPACacetic acid;2-methylpropanimidamide
SMILESCC(=O)O.[H]/N=C(\N)C(C)C
InChIInChI=1S/C4H10N2.C2H4O2/c1-3(2)4(5)6;1-2(3)4/h3H,1-2H3,(H3,5,6);1H3,(H,3,4)
InChIKeyLGMLPOVCHOFRTD-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.67
Rot. Bonds1

About acetic acid;2-methylpropanimidamide

acetic acid;2-methylpropanimidamide (PubChem CID 86096375) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is acetic acid;2-methylpropanimidamide.

Molecular Properties

Compound Nameacetic acid;2-methylpropanimidamide
PubChem CID86096375
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Nameacetic acid;2-methylpropanimidamide
SMILESCC(=O)O.[H]/N=C(\N)C(C)C
InChIInChI=1S/C4H10N2.C2H4O2/c1-3(2)4(5)6;1-2(3)4/h3H,1-2H3,(H3,5,6);1H3,(H,3,4)
InChIKeyLGMLPOVCHOFRTD-UHFFFAOYSA-N
XLogP0.67
TPSA87.17 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Ethanimidamide, acetate (1:1)
CID 160356
3-Amino-3-imino-2-methylpropanoic acid
CID 57324342
Propanimidamide;2,2,2-trifluoroacetic acid
CID 87679241
4,4,4-Trifluoro-3-methylbutanimidamide; acetic acid
CID 145915664
Propionamidine acetate
CID 12301254
Butyramidine HOAc
CID 42614265
3-Methylbutanimidamide acetate
CID 44607755
Amino 3-amino-3-imino-2-methylpropanoate
CID 57316796
[(Z)-(1-amino-2-methylpropylidene)amino] acetate
CID 58757444
(1-Amino-2-methylpropylidene)azanium;hydrogen carbonate
CID 87766019
Acetic acid;pentanimidamide
CID 87966377
Carbonic acid;propanimidamide
CID 88018658

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-methylpropanimidamide?
The IUPAC name of acetic acid;2-methylpropanimidamide (CID 86096375) is acetic acid;2-methylpropanimidamide.
What is the SMILES notation for acetic acid;2-methylpropanimidamide?
The canonical SMILES for acetic acid;2-methylpropanimidamide is CC(=O)O.[H]/N=C(\N)C(C)C.
What is the InChIKey of acetic acid;2-methylpropanimidamide?
The InChIKey is LGMLPOVCHOFRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C2H4O2/c1-3(2)4(5)6;1-2(3)4/h3H,1-2H3,(H3,5,6);1H3,(H,3,4).
What are the key properties of acetic acid;2-methylpropanimidamide?
acetic acid;2-methylpropanimidamide has a molecular weight of 146.19 g/mol, XLogP of 0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-methylpropanimidamide is sourced from PubChem (CID 86096375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).