1-cyclopropyloxy-2-methyl-3-methyliminoprop-1-en-1-amine

C8H14N2O — CID 174036469

IUPAC1-cyclopropyloxy-2-methyl-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(C)=C(N)OC1CC1
InChIInChI=1S/C8H14N2O/c1-6(5-10-2)8(9)11-7-3-4-7/h5,7H,3-4,9H2,1-2H3/b8-6?,10-5+
InChIKeyJQOOSCAUAXOOIE-QXTQWVAJSA-N
MW154.21 g/mol
LogP1.06
Rot. Bonds3

About 1-cyclopropyloxy-2-methyl-3-methyliminoprop-1-en-1-amine

1-cyclopropyloxy-2-methyl-3-methyliminoprop-1-en-1-amine (PubChem CID 174036469) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-cyclopropyloxy-2-methyl-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name1-cyclopropyloxy-2-methyl-3-methyliminoprop-1-en-1-amine
PubChem CID174036469
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-cyclopropyloxy-2-methyl-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(C)=C(N)OC1CC1
InChIInChI=1S/C8H14N2O/c1-6(5-10-2)8(9)11-7-3-4-7/h5,7H,3-4,9H2,1-2H3/b8-6?,10-5+
InChIKeyJQOOSCAUAXOOIE-QXTQWVAJSA-N
XLogP1.06
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
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 1-cyclopropyloxy-2-methyl-3-methyliminoprop-1-en-1-amine?
The IUPAC name of 1-cyclopropyloxy-2-methyl-3-methyliminoprop-1-en-1-amine (CID 174036469) is 1-cyclopropyloxy-2-methyl-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for 1-cyclopropyloxy-2-methyl-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for 1-cyclopropyloxy-2-methyl-3-methyliminoprop-1-en-1-amine is C/N=C/C(C)=C(N)OC1CC1.
What is the InChIKey of 1-cyclopropyloxy-2-methyl-3-methyliminoprop-1-en-1-amine?
The InChIKey is JQOOSCAUAXOOIE-QXTQWVAJSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(5-10-2)8(9)11-7-3-4-7/h5,7H,3-4,9H2,1-2H3/b8-6?,10-5+.
What are the key properties of 1-cyclopropyloxy-2-methyl-3-methyliminoprop-1-en-1-amine?
1-cyclopropyloxy-2-methyl-3-methyliminoprop-1-en-1-amine has a molecular weight of 154.21 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyloxy-2-methyl-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 174036469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).