8-methyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine

C13H23N3O — CID 79504736

IUPAC8-methyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCC1CCC2(CN=C(N)N2CC2CCCO2)C1
InChIInChI=1S/C13H23N3O/c1-10-4-5-13(7-10)9-15-12(14)16(13)8-11-3-2-6-17-11/h10-11H,2-9H2,1H3,(H2,14,15)
InChIKeyOMQJUGRRVZRPCA-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.35
Rot. Bonds2

About 8-methyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine

8-methyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine (PubChem CID 79504736) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 8-methyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name8-methyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
PubChem CID79504736
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name8-methyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCC1CCC2(CN=C(N)N2CC2CCCO2)C1
InChIInChI=1S/C13H23N3O/c1-10-4-5-13(7-10)9-15-12(14)16(13)8-11-3-2-6-17-11/h10-11H,2-9H2,1H3,(H2,14,15)
InChIKeyOMQJUGRRVZRPCA-UHFFFAOYSA-N
XLogP1.35
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7,9-dimethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504734
1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505489
8-methyl-1-(oxolan-2-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79505483
8-ethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79504811
1'-(oxolan-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
CID 79499139
6-methyl-1-(oxolan-2-ylmethyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 114080281
5-cyclohexyl-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
CID 79504971
5-methyl-5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
CID 79504816
9-methylsulfonyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79504740
5-ethyl-5-(5-fluoro-2-pyridinyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
CID 115941748
5-(4-bromo-2-chlorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
CID 82776453
7-methyl-1-(2-methylpropyl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79498076

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 8-methyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine (CID 79504736) is 8-methyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 8-methyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 8-methyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine is CC1CCC2(CN=C(N)N2CC2CCCO2)C1.
What is the InChIKey of 8-methyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine?
The InChIKey is OMQJUGRRVZRPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-4-5-13(7-10)9-15-12(14)16(13)8-11-3-2-6-17-11/h10-11H,2-9H2,1H3,(H2,14,15).
What are the key properties of 8-methyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine?
8-methyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 79504736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).