1-phenyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

C16H24N4 — CID 79514380

IUPAC1-phenyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCCCN1CCC2(CC1)CN=C(N)N2c1ccccc1
InChIInChI=1S/C16H24N4/c1-2-10-19-11-8-16(9-12-19)13-18-15(17)20(16)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H2,17,18)
InChIKeyXXVNSLCMNUVYRC-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.07
Rot. Bonds3

About 1-phenyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

1-phenyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79514380) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-phenyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-phenyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
PubChem CID79514380
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-phenyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCCCN1CCC2(CC1)CN=C(N)N2c1ccccc1
InChIInChI=1S/C16H24N4/c1-2-10-19-11-8-16(9-12-19)13-18-15(17)20(16)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H2,17,18)
InChIKeyXXVNSLCMNUVYRC-UHFFFAOYSA-N
XLogP2.07
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-phenyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (CID 79514380) is 1-phenyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-phenyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-phenyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is CCCN1CCC2(CC1)CN=C(N)N2c1ccccc1.
What is the InChIKey of 1-phenyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is XXVNSLCMNUVYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-2-10-19-11-8-16(9-12-19)13-18-15(17)20(16)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H2,17,18).
What are the key properties of 1-phenyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
1-phenyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 272.40 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79514380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).