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

C13H25N3 — CID 79497814

IUPAC7,7-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)N1C(N)=NCC12CCCC(C)(C)C2
InChIInChI=1S/C13H25N3/c1-10(2)16-11(14)15-9-13(16)7-5-6-12(3,4)8-13/h10H,5-9H2,1-4H3,(H2,14,15)
InChIKeyDIHLTVANBWFQNV-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.36
Rot. Bonds1

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

7,7-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79497814) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 7,7-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name7,7-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79497814
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name7,7-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)N1C(N)=NCC12CCCC(C)(C)C2
InChIInChI=1S/C13H25N3/c1-10(2)16-11(14)15-9-13(16)7-5-6-12(3,4)8-13/h10H,5-9H2,1-4H3,(H2,14,15)
InChIKeyDIHLTVANBWFQNV-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
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-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 7,7-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79497814) is 7,7-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 7,7-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 7,7-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC(C)N1C(N)=NCC12CCCC(C)(C)C2.
What is the InChIKey of 7,7-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is DIHLTVANBWFQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-10(2)16-11(14)15-9-13(16)7-5-6-12(3,4)8-13/h10H,5-9H2,1-4H3,(H2,14,15).
What are the key properties of 7,7-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
7,7-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 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1-propan-2-yl-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79497814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).