8,8-dimethyl-1-phenyl-1,3-diazaspiro[4.6]undec-2-en-2-amine

C17H25N3 — CID 79514529

IUPAC8,8-dimethyl-1-phenyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESCC1(C)CCCC2(CC1)CN=C(N)N2c1ccccc1
InChIInChI=1S/C17H25N3/c1-16(2)9-6-10-17(12-11-16)13-19-15(18)20(17)14-7-4-3-5-8-14/h3-5,7-8H,6,9-13H2,1-2H3,(H2,18,19)
InChIKeyUKRDBMDOJGVCEO-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.55
Rot. Bonds1

About 8,8-dimethyl-1-phenyl-1,3-diazaspiro[4.6]undec-2-en-2-amine

8,8-dimethyl-1-phenyl-1,3-diazaspiro[4.6]undec-2-en-2-amine (PubChem CID 79514529) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 8,8-dimethyl-1-phenyl-1,3-diazaspiro[4.6]undec-2-en-2-amine.

Molecular Properties

Compound Name8,8-dimethyl-1-phenyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
PubChem CID79514529
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name8,8-dimethyl-1-phenyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESCC1(C)CCCC2(CC1)CN=C(N)N2c1ccccc1
InChIInChI=1S/C17H25N3/c1-16(2)9-6-10-17(12-11-16)13-19-15(18)20(17)14-7-4-3-5-8-14/h3-5,7-8H,6,9-13H2,1-2H3,(H2,18,19)
InChIKeyUKRDBMDOJGVCEO-UHFFFAOYSA-N
XLogP3.55
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-1-phenyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The IUPAC name of 8,8-dimethyl-1-phenyl-1,3-diazaspiro[4.6]undec-2-en-2-amine (CID 79514529) is 8,8-dimethyl-1-phenyl-1,3-diazaspiro[4.6]undec-2-en-2-amine.
What is the SMILES notation for 8,8-dimethyl-1-phenyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The canonical SMILES for 8,8-dimethyl-1-phenyl-1,3-diazaspiro[4.6]undec-2-en-2-amine is CC1(C)CCCC2(CC1)CN=C(N)N2c1ccccc1.
What is the InChIKey of 8,8-dimethyl-1-phenyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The InChIKey is UKRDBMDOJGVCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-16(2)9-6-10-17(12-11-16)13-19-15(18)20(17)14-7-4-3-5-8-14/h3-5,7-8H,6,9-13H2,1-2H3,(H2,18,19).
What are the key properties of 8,8-dimethyl-1-phenyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
8,8-dimethyl-1-phenyl-1,3-diazaspiro[4.6]undec-2-en-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-1-phenyl-1,3-diazaspiro[4.6]undec-2-en-2-amine is sourced from PubChem (CID 79514529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).