7,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

C14H27N3 — CID 79497509

IUPAC7,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)CN1C(N)=NCC12CCCC(C)(C)C2
InChIInChI=1S/C14H27N3/c1-11(2)8-17-12(15)16-10-14(17)7-5-6-13(3,4)9-14/h11H,5-10H2,1-4H3,(H2,15,16)
InChIKeyXRHWMLLIFBYBRS-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.61
Rot. Bonds2

About 7,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

7,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79497509) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 7,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name7,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79497509
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name7,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)CN1C(N)=NCC12CCCC(C)(C)C2
InChIInChI=1S/C14H27N3/c1-11(2)8-17-12(15)16-10-14(17)7-5-6-13(3,4)9-14/h11H,5-10H2,1-4H3,(H2,15,16)
InChIKeyXRHWMLLIFBYBRS-UHFFFAOYSA-N
XLogP2.61
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 7,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79497509) is 7,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 7,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 7,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC(C)CN1C(N)=NCC12CCCC(C)(C)C2.
What is the InChIKey of 7,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is XRHWMLLIFBYBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-11(2)8-17-12(15)16-10-14(17)7-5-6-13(3,4)9-14/h11H,5-10H2,1-4H3,(H2,15,16).
What are the key properties of 7,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
7,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 237.39 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1-(2-methylpropyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79497509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).