(E)-3-imino-2-propan-2-yloxyprop-1-en-1-amine

C6H12N2O — CID 130354422

IUPAC(E)-3-imino-2-propan-2-yloxyprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)OC(C)C
InChIInChI=1S/C6H12N2O/c1-5(2)9-6(3-7)4-8/h3-5,7H,8H2,1-2H3/b6-4+,7-3+
InChIKeyWEYSNVMQVOWYMJ-DVFLZCIWSA-N
MW128.17 g/mol
LogP0.86
Rot. Bonds3

About (E)-3-imino-2-propan-2-yloxyprop-1-en-1-amine

(E)-3-imino-2-propan-2-yloxyprop-1-en-1-amine (PubChem CID 130354422) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (E)-3-imino-2-propan-2-yloxyprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-3-imino-2-propan-2-yloxyprop-1-en-1-amine
PubChem CID130354422
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(E)-3-imino-2-propan-2-yloxyprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)OC(C)C
InChIInChI=1S/C6H12N2O/c1-5(2)9-6(3-7)4-8/h3-5,7H,8H2,1-2H3/b6-4+,7-3+
InChIKeyWEYSNVMQVOWYMJ-DVFLZCIWSA-N
XLogP0.86
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-imino-2-propan-2-yloxyprop-1-en-1-amine?
The IUPAC name of (E)-3-imino-2-propan-2-yloxyprop-1-en-1-amine (CID 130354422) is (E)-3-imino-2-propan-2-yloxyprop-1-en-1-amine.
What is the SMILES notation for (E)-3-imino-2-propan-2-yloxyprop-1-en-1-amine?
The canonical SMILES for (E)-3-imino-2-propan-2-yloxyprop-1-en-1-amine is [H]/N=C/C(=C\N)OC(C)C.
What is the InChIKey of (E)-3-imino-2-propan-2-yloxyprop-1-en-1-amine?
The InChIKey is WEYSNVMQVOWYMJ-DVFLZCIWSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5(2)9-6(3-7)4-8/h3-5,7H,8H2,1-2H3/b6-4+,7-3+.
What are the key properties of (E)-3-imino-2-propan-2-yloxyprop-1-en-1-amine?
(E)-3-imino-2-propan-2-yloxyprop-1-en-1-amine has a molecular weight of 128.17 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-imino-2-propan-2-yloxyprop-1-en-1-amine is sourced from PubChem (CID 130354422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).