N-ethenyl-N-propan-2-ylmethanimidamide

C6H12N2 — CID 58551747

IUPACN-ethenyl-N-propan-2-ylmethanimidamide
SMILES[H]/N=C/N(C=C)C(C)C
InChIInChI=1S/C6H12N2/c1-4-8(5-7)6(2)3/h4-7H,1H2,2-3H3/b7-5+
InChIKeyUJNLRAQIEBNXQD-FNORWQNLSA-N
MW112.18 g/mol
LogP1.45
Rot. Bonds3

About N-ethenyl-N-propan-2-ylmethanimidamide

N-ethenyl-N-propan-2-ylmethanimidamide (PubChem CID 58551747) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-ethenyl-N-propan-2-ylmethanimidamide.

Molecular Properties

Compound NameN-ethenyl-N-propan-2-ylmethanimidamide
PubChem CID58551747
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-ethenyl-N-propan-2-ylmethanimidamide
SMILES[H]/N=C/N(C=C)C(C)C
InChIInChI=1S/C6H12N2/c1-4-8(5-7)6(2)3/h4-7H,1H2,2-3H3/b7-5+
InChIKeyUJNLRAQIEBNXQD-FNORWQNLSA-N
XLogP1.45
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.45
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-ylmethanimidamide?
The IUPAC name of N-ethenyl-N-propan-2-ylmethanimidamide (CID 58551747) is N-ethenyl-N-propan-2-ylmethanimidamide.
What is the SMILES notation for N-ethenyl-N-propan-2-ylmethanimidamide?
The canonical SMILES for N-ethenyl-N-propan-2-ylmethanimidamide is [H]/N=C/N(C=C)C(C)C.
What is the InChIKey of N-ethenyl-N-propan-2-ylmethanimidamide?
The InChIKey is UJNLRAQIEBNXQD-FNORWQNLSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-8(5-7)6(2)3/h4-7H,1H2,2-3H3/b7-5+.
What are the key properties of N-ethenyl-N-propan-2-ylmethanimidamide?
N-ethenyl-N-propan-2-ylmethanimidamide has a molecular weight of 112.18 g/mol, XLogP of 1.45, 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-ylmethanimidamide is sourced from PubChem (CID 58551747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).