N'-ethyl-N-propan-2-ylmethanimidamide

C6H14N2 — CID 19354665

IUPACN'-ethyl-N-propan-2-ylmethanimidamide
SMILESCC/N=C/NC(C)C
InChIInChI=1S/C6H14N2/c1-4-7-5-8-6(2)3/h5-6H,4H2,1-3H3,(H,7,8)
InChIKeyGJXHPXRXLJSJGW-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.03
Rot. Bonds3

About N'-ethyl-N-propan-2-ylmethanimidamide

N'-ethyl-N-propan-2-ylmethanimidamide (PubChem CID 19354665) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is N'-ethyl-N-propan-2-ylmethanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-propan-2-ylmethanimidamide
PubChem CID19354665
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC NameN'-ethyl-N-propan-2-ylmethanimidamide
SMILESCC/N=C/NC(C)C
InChIInChI=1S/C6H14N2/c1-4-7-5-8-6(2)3/h5-6H,4H2,1-3H3,(H,7,8)
InChIKeyGJXHPXRXLJSJGW-UHFFFAOYSA-N
XLogP1.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.03
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'-ethyl-N-propan-2-ylmethanimidamide?
The IUPAC name of N'-ethyl-N-propan-2-ylmethanimidamide (CID 19354665) is N'-ethyl-N-propan-2-ylmethanimidamide.
What is the SMILES notation for N'-ethyl-N-propan-2-ylmethanimidamide?
The canonical SMILES for N'-ethyl-N-propan-2-ylmethanimidamide is CC/N=C/NC(C)C.
What is the InChIKey of N'-ethyl-N-propan-2-ylmethanimidamide?
The InChIKey is GJXHPXRXLJSJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-4-7-5-8-6(2)3/h5-6H,4H2,1-3H3,(H,7,8).
What are the key properties of N'-ethyl-N-propan-2-ylmethanimidamide?
N'-ethyl-N-propan-2-ylmethanimidamide has a molecular weight of 114.19 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-propan-2-ylmethanimidamide is sourced from PubChem (CID 19354665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).