ethane;N'-(2-methylprop-1-enyl)methanimidamide

C9H22N2 — CID 143869901

IUPACethane;N'-(2-methylprop-1-enyl)methanimidamide
SMILESCC.CC.CC(C)=C/N=C/N
InChIInChI=1S/C5H10N2.2C2H6/c1-5(2)3-7-4-6;2*1-2/h3-4H,1-2H3,(H2,6,7);2*1-2H3
InChIKeyRHABHVRZORTCLO-UHFFFAOYSA-N
MW158.29 g/mol
LogP2.95
Rot. Bonds1

About ethane;N'-(2-methylprop-1-enyl)methanimidamide

ethane;N'-(2-methylprop-1-enyl)methanimidamide (PubChem CID 143869901) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is ethane;N'-(2-methylprop-1-enyl)methanimidamide.

Molecular Properties

Compound Nameethane;N'-(2-methylprop-1-enyl)methanimidamide
PubChem CID143869901
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Nameethane;N'-(2-methylprop-1-enyl)methanimidamide
SMILESCC.CC.CC(C)=C/N=C/N
InChIInChI=1S/C5H10N2.2C2H6/c1-5(2)3-7-4-6;2*1-2/h3-4H,1-2H3,(H2,6,7);2*1-2H3
InChIKeyRHABHVRZORTCLO-UHFFFAOYSA-N
XLogP2.95
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 52.95
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 ethane;N'-(2-methylprop-1-enyl)methanimidamide?
The IUPAC name of ethane;N'-(2-methylprop-1-enyl)methanimidamide (CID 143869901) is ethane;N'-(2-methylprop-1-enyl)methanimidamide.
What is the SMILES notation for ethane;N'-(2-methylprop-1-enyl)methanimidamide?
The canonical SMILES for ethane;N'-(2-methylprop-1-enyl)methanimidamide is CC.CC.CC(C)=C/N=C/N.
What is the InChIKey of ethane;N'-(2-methylprop-1-enyl)methanimidamide?
The InChIKey is RHABHVRZORTCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.2C2H6/c1-5(2)3-7-4-6;2*1-2/h3-4H,1-2H3,(H2,6,7);2*1-2H3.
What are the key properties of ethane;N'-(2-methylprop-1-enyl)methanimidamide?
ethane;N'-(2-methylprop-1-enyl)methanimidamide has a molecular weight of 158.29 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-(2-methylprop-1-enyl)methanimidamide is sourced from PubChem (CID 143869901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).