1-cycloheptyl-8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

C15H28N4 — CID 79496927

IUPAC1-cycloheptyl-8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCN1CCC2(CC1)CN=C(N)N2C1CCCCCC1
InChIInChI=1S/C15H28N4/c1-18-10-8-15(9-11-18)12-17-14(16)19(15)13-6-4-2-3-5-7-13/h13H,2-12H2,1H3,(H2,16,17)
InChIKeySGEPYGUHUSMJCY-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.80
Rot. Bonds1

About 1-cycloheptyl-8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

1-cycloheptyl-8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79496927) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-cycloheptyl-8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
PubChem CID79496927
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-cycloheptyl-8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCN1CCC2(CC1)CN=C(N)N2C1CCCCCC1
InChIInChI=1S/C15H28N4/c1-18-10-8-15(9-11-18)12-17-14(16)19(15)13-6-4-2-3-5-7-13/h13H,2-12H2,1H3,(H2,16,17)
InChIKeySGEPYGUHUSMJCY-UHFFFAOYSA-N
XLogP1.80
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-cycloheptyl-8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (CID 79496927) is 1-cycloheptyl-8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-cycloheptyl-8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-cycloheptyl-8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is CN1CCC2(CC1)CN=C(N)N2C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is SGEPYGUHUSMJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-18-10-8-15(9-11-18)12-17-14(16)19(15)13-6-4-2-3-5-7-13/h13H,2-12H2,1H3,(H2,16,17).
What are the key properties of 1-cycloheptyl-8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
1-cycloheptyl-8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 264.42 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79496927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).