1-benzyl-6,7-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

C17H25N3 — CID 79506239

IUPAC1-benzyl-6,7-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1CCCC2(CN=C(N)N2Cc2ccccc2)C1C
InChIInChI=1S/C17H25N3/c1-13-7-6-10-17(14(13)2)12-19-16(18)20(17)11-15-8-4-3-5-9-15/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3,(H2,18,19)
InChIKeyCSQWLTHFZUDXHN-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.01
Rot. Bonds2

About 1-benzyl-6,7-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-benzyl-6,7-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79506239) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-benzyl-6,7-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-benzyl-6,7-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79506239
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-benzyl-6,7-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1CCCC2(CN=C(N)N2Cc2ccccc2)C1C
InChIInChI=1S/C17H25N3/c1-13-7-6-10-17(14(13)2)12-19-16(18)20(17)11-15-8-4-3-5-9-15/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3,(H2,18,19)
InChIKeyCSQWLTHFZUDXHN-UHFFFAOYSA-N
XLogP3.01
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79507017
1-benzyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79506525
1-benzyl-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79498144
1-(2-methoxyethyl)-6-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 105404186
1-benzyl-5-(methoxymethyl)-5-methyl-4H-imidazol-2-amine
CID 79505944
1-benzyl-8-methyl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79957610
1-ethyl-9-methyl-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79509728
1-benzyl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505951
6-methyl-1-phenyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514905
1-benzyl-7-ethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79506331
1-benzyl-7-propyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79498152
1-benzyl-2,3-dimethylcyclohexan-1-ol
CID 64754174

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6,7-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-benzyl-6,7-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79506239) is 1-benzyl-6,7-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-benzyl-6,7-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-benzyl-6,7-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC1CCCC2(CN=C(N)N2Cc2ccccc2)C1C.
What is the InChIKey of 1-benzyl-6,7-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is CSQWLTHFZUDXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-13-7-6-10-17(14(13)2)12-19-16(18)20(17)11-15-8-4-3-5-9-15/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3,(H2,18,19).
What are the key properties of 1-benzyl-6,7-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-benzyl-6,7-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6,7-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79506239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).