N-cyclopropyloxypropan-2-imine

C6H11NO — CID 175552910

IUPACN-cyclopropyloxypropan-2-imine
SMILESCC(C)=NOC1CC1
InChIInChI=1S/C6H11NO/c1-5(2)7-8-6-3-4-6/h6H,3-4H2,1-2H3
InChIKeyGPCSDNOZVMQLDH-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.56
Rot. Bonds2

About N-cyclopropyloxypropan-2-imine

N-cyclopropyloxypropan-2-imine (PubChem CID 175552910) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is N-cyclopropyloxypropan-2-imine.

Molecular Properties

Compound NameN-cyclopropyloxypropan-2-imine
PubChem CID175552910
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameN-cyclopropyloxypropan-2-imine
SMILESCC(C)=NOC1CC1
InChIInChI=1S/C6H11NO/c1-5(2)7-8-6-3-4-6/h6H,3-4H2,1-2H3
InChIKeyGPCSDNOZVMQLDH-UHFFFAOYSA-N
XLogP1.56
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-cyclopropyloxypropan-2-imine?
The IUPAC name of N-cyclopropyloxypropan-2-imine (CID 175552910) is N-cyclopropyloxypropan-2-imine.
What is the SMILES notation for N-cyclopropyloxypropan-2-imine?
The canonical SMILES for N-cyclopropyloxypropan-2-imine is CC(C)=NOC1CC1.
What is the InChIKey of N-cyclopropyloxypropan-2-imine?
The InChIKey is GPCSDNOZVMQLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5(2)7-8-6-3-4-6/h6H,3-4H2,1-2H3.
What are the key properties of N-cyclopropyloxypropan-2-imine?
N-cyclopropyloxypropan-2-imine has a molecular weight of 113.16 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyloxypropan-2-imine is sourced from PubChem (CID 175552910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).