N'-propan-2-ylmethanimidamide

C4H10N2 — CID 19354670

IUPACN'-propan-2-ylmethanimidamide
SMILESCC(C)/N=C/N
InChIInChI=1S/C4H10N2/c1-4(2)6-3-5/h3-4H,1-2H3,(H2,5,6)
InChIKeyDCTMIFVCTIMQPP-UHFFFAOYSA-N
MW86.14 g/mol
LogP0.38
Rot. Bonds1

About N'-propan-2-ylmethanimidamide

N'-propan-2-ylmethanimidamide (PubChem CID 19354670) has the molecular formula C4H10N2 and a molecular weight of 86.14 g/mol. Its IUPAC name is N'-propan-2-ylmethanimidamide.

Molecular Properties

Compound NameN'-propan-2-ylmethanimidamide
PubChem CID19354670
Molecular FormulaC4H10N2
Molecular Weight86.14 g/mol
Exact Mass86.08
IUPAC NameN'-propan-2-ylmethanimidamide
SMILESCC(C)/N=C/N
InChIInChI=1S/C4H10N2/c1-4(2)6-3-5/h3-4H,1-2H3,(H2,5,6)
InChIKeyDCTMIFVCTIMQPP-UHFFFAOYSA-N
XLogP0.38
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.14
LogP ≤ 50.38
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 N'-propan-2-ylmethanimidamide?
The IUPAC name of N'-propan-2-ylmethanimidamide (CID 19354670) is N'-propan-2-ylmethanimidamide.
What is the SMILES notation for N'-propan-2-ylmethanimidamide?
The canonical SMILES for N'-propan-2-ylmethanimidamide is CC(C)/N=C/N.
What is the InChIKey of N'-propan-2-ylmethanimidamide?
The InChIKey is DCTMIFVCTIMQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2/c1-4(2)6-3-5/h3-4H,1-2H3,(H2,5,6).
What are the key properties of N'-propan-2-ylmethanimidamide?
N'-propan-2-ylmethanimidamide has a molecular weight of 86.14 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-ylmethanimidamide is sourced from PubChem (CID 19354670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).