N'-[(Z)-1-amino-3-methylbut-1-en-2-yl]-2-methylpropanimidamide

C9H19N3 — CID 166933258

IUPACN'-[(Z)-1-amino-3-methylbut-1-en-2-yl]-2-methylpropanimidamide
SMILESCC(C)C(=C/N)/N=C(\N)C(C)C
InChIInChI=1S/C9H19N3/c1-6(2)8(5-10)12-9(11)7(3)4/h5-7H,10H2,1-4H3,(H2,11,12)/b8-5-
InChIKeyVSKZBYDSKOOFQM-YVMONPNESA-N
MW169.27 g/mol
LogP1.46
Rot. Bonds3

About N'-[(Z)-1-amino-3-methylbut-1-en-2-yl]-2-methylpropanimidamide

N'-[(Z)-1-amino-3-methylbut-1-en-2-yl]-2-methylpropanimidamide (PubChem CID 166933258) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N'-[(Z)-1-amino-3-methylbut-1-en-2-yl]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-[(Z)-1-amino-3-methylbut-1-en-2-yl]-2-methylpropanimidamide
PubChem CID166933258
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN'-[(Z)-1-amino-3-methylbut-1-en-2-yl]-2-methylpropanimidamide
SMILESCC(C)C(=C/N)/N=C(\N)C(C)C
InChIInChI=1S/C9H19N3/c1-6(2)8(5-10)12-9(11)7(3)4/h5-7H,10H2,1-4H3,(H2,11,12)/b8-5-
InChIKeyVSKZBYDSKOOFQM-YVMONPNESA-N
XLogP1.46
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-amino-3-methylbut-1-en-2-yl]-2-methylpropanimidamide?
The IUPAC name of N'-[(Z)-1-amino-3-methylbut-1-en-2-yl]-2-methylpropanimidamide (CID 166933258) is N'-[(Z)-1-amino-3-methylbut-1-en-2-yl]-2-methylpropanimidamide.
What is the SMILES notation for N'-[(Z)-1-amino-3-methylbut-1-en-2-yl]-2-methylpropanimidamide?
The canonical SMILES for N'-[(Z)-1-amino-3-methylbut-1-en-2-yl]-2-methylpropanimidamide is CC(C)C(=C/N)/N=C(\N)C(C)C.
What is the InChIKey of N'-[(Z)-1-amino-3-methylbut-1-en-2-yl]-2-methylpropanimidamide?
The InChIKey is VSKZBYDSKOOFQM-YVMONPNESA-N. The full InChI is InChI=1S/C9H19N3/c1-6(2)8(5-10)12-9(11)7(3)4/h5-7H,10H2,1-4H3,(H2,11,12)/b8-5-.
What are the key properties of N'-[(Z)-1-amino-3-methylbut-1-en-2-yl]-2-methylpropanimidamide?
N'-[(Z)-1-amino-3-methylbut-1-en-2-yl]-2-methylpropanimidamide has a molecular weight of 169.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-amino-3-methylbut-1-en-2-yl]-2-methylpropanimidamide is sourced from PubChem (CID 166933258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).