1-benzyl-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine

C17H25N3O — CID 79498152

IUPAC1-benzyl-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCCC1CC2(CCO1)CN=C(N)N2Cc1ccccc1
InChIInChI=1S/C17H25N3O/c1-2-6-15-11-17(9-10-21-15)13-19-16(18)20(17)12-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H2,18,19)
InChIKeyKYZFHMQBSSRISM-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.53
Rot. Bonds4

About 1-benzyl-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-benzyl-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79498152) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-benzyl-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-benzyl-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79498152
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-benzyl-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCCC1CC2(CCO1)CN=C(N)N2Cc1ccccc1
InChIInChI=1S/C17H25N3O/c1-2-6-15-11-17(9-10-21-15)13-19-16(18)20(17)12-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H2,18,19)
InChIKeyKYZFHMQBSSRISM-UHFFFAOYSA-N
XLogP2.53
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-benzyl-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79498152) is 1-benzyl-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-benzyl-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-benzyl-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is CCCC1CC2(CCO1)CN=C(N)N2Cc1ccccc1.
What is the InChIKey of 1-benzyl-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is KYZFHMQBSSRISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-6-15-11-17(9-10-21-15)13-19-16(18)20(17)12-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H2,18,19).
What are the key properties of 1-benzyl-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-benzyl-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79498152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).