1-cyclopropyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

C17H23N3 — CID 79498645

IUPAC1-cyclopropyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCC(c3ccccc3)CC2)N1C1CC1
InChIInChI=1S/C17H23N3/c18-16-19-12-17(20(16)15-6-7-15)10-8-14(9-11-17)13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H2,18,19)
InChIKeyWRBPMKXYOWTVRU-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.88
Rot. Bonds2

About 1-cyclopropyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-cyclopropyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79498645) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-cyclopropyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79498645
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-cyclopropyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCC(c3ccccc3)CC2)N1C1CC1
InChIInChI=1S/C17H23N3/c18-16-19-12-17(20(16)15-6-7-15)10-8-14(9-11-17)13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H2,18,19)
InChIKeyWRBPMKXYOWTVRU-UHFFFAOYSA-N
XLogP2.88
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-cyclopropyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79498645) is 1-cyclopropyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-cyclopropyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-cyclopropyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is NC1=NCC2(CCC(c3ccccc3)CC2)N1C1CC1.
What is the InChIKey of 1-cyclopropyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is WRBPMKXYOWTVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c18-16-19-12-17(20(16)15-6-7-15)10-8-14(9-11-17)13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H2,18,19).
What are the key properties of 1-cyclopropyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-cyclopropyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 269.39 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-8-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79498645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).