1-cycloheptyl-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

C17H31N3 — CID 79496605

IUPAC1-cycloheptyl-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1CC(C)CC2(CN=C(N)N2C2CCCCCC2)C1
InChIInChI=1S/C17H31N3/c1-13-9-14(2)11-17(10-13)12-19-16(18)20(17)15-7-5-3-4-6-8-15/h13-15H,3-12H2,1-2H3,(H2,18,19)
InChIKeyXOBIRRAYTLPYGY-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.53
Rot. Bonds1

About 1-cycloheptyl-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-cycloheptyl-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79496605) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-cycloheptyl-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79496605
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-cycloheptyl-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1CC(C)CC2(CN=C(N)N2C2CCCCCC2)C1
InChIInChI=1S/C17H31N3/c1-13-9-14(2)11-17(10-13)12-19-16(18)20(17)15-7-5-3-4-6-8-15/h13-15H,3-12H2,1-2H3,(H2,18,19)
InChIKeyXOBIRRAYTLPYGY-UHFFFAOYSA-N
XLogP3.53
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-cycloheptyl-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79496605) is 1-cycloheptyl-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-cycloheptyl-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-cycloheptyl-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC1CC(C)CC2(CN=C(N)N2C2CCCCCC2)C1.
What is the InChIKey of 1-cycloheptyl-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is XOBIRRAYTLPYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-13-9-14(2)11-17(10-13)12-19-16(18)20(17)15-7-5-3-4-6-8-15/h13-15H,3-12H2,1-2H3,(H2,18,19).
What are the key properties of 1-cycloheptyl-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-cycloheptyl-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 277.46 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79496605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).