N-ethenyl-N-propan-2-ylpropanimidamide

C8H16N2 — CID 146638834

IUPACN-ethenyl-N-propan-2-ylpropanimidamide
SMILES[H]/N=C(\CC)N(C=C)C(C)C
InChIInChI=1S/C8H16N2/c1-5-8(9)10(6-2)7(3)4/h6-7,9H,2,5H2,1,3-4H3/b9-8+
InChIKeyLWPCJJBPDNCFBO-CMDGGOBGSA-N
MW140.23 g/mol
LogP2.23
Rot. Bonds3

About N-ethenyl-N-propan-2-ylpropanimidamide

N-ethenyl-N-propan-2-ylpropanimidamide (PubChem CID 146638834) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-ethenyl-N-propan-2-ylpropanimidamide.

Molecular Properties

Compound NameN-ethenyl-N-propan-2-ylpropanimidamide
PubChem CID146638834
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-ethenyl-N-propan-2-ylpropanimidamide
SMILES[H]/N=C(\CC)N(C=C)C(C)C
InChIInChI=1S/C8H16N2/c1-5-8(9)10(6-2)7(3)4/h6-7,9H,2,5H2,1,3-4H3/b9-8+
InChIKeyLWPCJJBPDNCFBO-CMDGGOBGSA-N
XLogP2.23
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.23
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-ethenyl-N-propan-2-ylpropanimidamide?
The IUPAC name of N-ethenyl-N-propan-2-ylpropanimidamide (CID 146638834) is N-ethenyl-N-propan-2-ylpropanimidamide.
What is the SMILES notation for N-ethenyl-N-propan-2-ylpropanimidamide?
The canonical SMILES for N-ethenyl-N-propan-2-ylpropanimidamide is [H]/N=C(\CC)N(C=C)C(C)C.
What is the InChIKey of N-ethenyl-N-propan-2-ylpropanimidamide?
The InChIKey is LWPCJJBPDNCFBO-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-8(9)10(6-2)7(3)4/h6-7,9H,2,5H2,1,3-4H3/b9-8+.
What are the key properties of N-ethenyl-N-propan-2-ylpropanimidamide?
N-ethenyl-N-propan-2-ylpropanimidamide has a molecular weight of 140.23 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-propan-2-ylpropanimidamide is sourced from PubChem (CID 146638834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).