7,8-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine

C13H25N3 — CID 79496529

IUPAC7,8-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1CCC2(CN=C(N)N2C(C)C)CC1C
InChIInChI=1S/C13H25N3/c1-9(2)16-12(14)15-8-13(16)6-5-10(3)11(4)7-13/h9-11H,5-8H2,1-4H3,(H2,14,15)
InChIKeyFPROOBHIKVOPRQ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.22
Rot. Bonds1

About 7,8-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine

7,8-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79496529) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 7,8-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name7,8-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79496529
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name7,8-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1CCC2(CN=C(N)N2C(C)C)CC1C
InChIInChI=1S/C13H25N3/c1-9(2)16-12(14)15-8-13(16)6-5-10(3)11(4)7-13/h9-11H,5-8H2,1-4H3,(H2,14,15)
InChIKeyFPROOBHIKVOPRQ-UHFFFAOYSA-N
XLogP2.22
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 7,8-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79496529) is 7,8-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 7,8-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 7,8-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC1CCC2(CN=C(N)N2C(C)C)CC1C.
What is the InChIKey of 7,8-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is FPROOBHIKVOPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-9(2)16-12(14)15-8-13(16)6-5-10(3)11(4)7-13/h9-11H,5-8H2,1-4H3,(H2,14,15).
What are the key properties of 7,8-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
7,8-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79496529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).