(3E)-3-propan-2-yloxyiminopropan-1-amine

C6H14N2O — CID 58684159

IUPAC(3E)-3-propan-2-yloxyiminopropan-1-amine
SMILESCC(C)O/N=C/CCN
InChIInChI=1S/C6H14N2O/c1-6(2)9-8-5-3-4-7/h5-6H,3-4,7H2,1-2H3/b8-5+
InChIKeyHMROETAMUNIRGJ-VMPITWQZSA-N
MW130.19 g/mol
LogP0.75
Rot. Bonds4

About (3E)-3-propan-2-yloxyiminopropan-1-amine

(3E)-3-propan-2-yloxyiminopropan-1-amine (PubChem CID 58684159) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is (3E)-3-propan-2-yloxyiminopropan-1-amine.

Molecular Properties

Compound Name(3E)-3-propan-2-yloxyiminopropan-1-amine
PubChem CID58684159
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name(3E)-3-propan-2-yloxyiminopropan-1-amine
SMILESCC(C)O/N=C/CCN
InChIInChI=1S/C6H14N2O/c1-6(2)9-8-5-3-4-7/h5-6H,3-4,7H2,1-2H3/b8-5+
InChIKeyHMROETAMUNIRGJ-VMPITWQZSA-N
XLogP0.75
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-propan-2-yloxyiminopropan-1-amine?
The IUPAC name of (3E)-3-propan-2-yloxyiminopropan-1-amine (CID 58684159) is (3E)-3-propan-2-yloxyiminopropan-1-amine.
What is the SMILES notation for (3E)-3-propan-2-yloxyiminopropan-1-amine?
The canonical SMILES for (3E)-3-propan-2-yloxyiminopropan-1-amine is CC(C)O/N=C/CCN.
What is the InChIKey of (3E)-3-propan-2-yloxyiminopropan-1-amine?
The InChIKey is HMROETAMUNIRGJ-VMPITWQZSA-N. The full InChI is InChI=1S/C6H14N2O/c1-6(2)9-8-5-3-4-7/h5-6H,3-4,7H2,1-2H3/b8-5+.
What are the key properties of (3E)-3-propan-2-yloxyiminopropan-1-amine?
(3E)-3-propan-2-yloxyiminopropan-1-amine has a molecular weight of 130.19 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-propan-2-yloxyiminopropan-1-amine is sourced from PubChem (CID 58684159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).