1-cyclopropyl-9-oxa-1,3-diazaspiro[4.6]undec-2-en-2-amine

C11H19N3O — CID 79509973

IUPAC1-cyclopropyl-9-oxa-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESNC1=NCC2(CCCOCC2)N1C1CC1
InChIInChI=1S/C11H19N3O/c12-10-13-8-11(14(10)9-2-3-9)4-1-6-15-7-5-11/h9H,1-8H2,(H2,12,13)
InChIKeyIALYJOHBIUATDS-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.72
Rot. Bonds1

About 1-cyclopropyl-9-oxa-1,3-diazaspiro[4.6]undec-2-en-2-amine

1-cyclopropyl-9-oxa-1,3-diazaspiro[4.6]undec-2-en-2-amine (PubChem CID 79509973) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-cyclopropyl-9-oxa-1,3-diazaspiro[4.6]undec-2-en-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-9-oxa-1,3-diazaspiro[4.6]undec-2-en-2-amine
PubChem CID79509973
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-cyclopropyl-9-oxa-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESNC1=NCC2(CCCOCC2)N1C1CC1
InChIInChI=1S/C11H19N3O/c12-10-13-8-11(14(10)9-2-3-9)4-1-6-15-7-5-11/h9H,1-8H2,(H2,12,13)
InChIKeyIALYJOHBIUATDS-UHFFFAOYSA-N
XLogP0.72
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-9-oxa-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The IUPAC name of 1-cyclopropyl-9-oxa-1,3-diazaspiro[4.6]undec-2-en-2-amine (CID 79509973) is 1-cyclopropyl-9-oxa-1,3-diazaspiro[4.6]undec-2-en-2-amine.
What is the SMILES notation for 1-cyclopropyl-9-oxa-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The canonical SMILES for 1-cyclopropyl-9-oxa-1,3-diazaspiro[4.6]undec-2-en-2-amine is NC1=NCC2(CCCOCC2)N1C1CC1.
What is the InChIKey of 1-cyclopropyl-9-oxa-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The InChIKey is IALYJOHBIUATDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c12-10-13-8-11(14(10)9-2-3-9)4-1-6-15-7-5-11/h9H,1-8H2,(H2,12,13).
What are the key properties of 1-cyclopropyl-9-oxa-1,3-diazaspiro[4.6]undec-2-en-2-amine?
1-cyclopropyl-9-oxa-1,3-diazaspiro[4.6]undec-2-en-2-amine has a molecular weight of 209.29 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-9-oxa-1,3-diazaspiro[4.6]undec-2-en-2-amine is sourced from PubChem (CID 79509973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).