1-benzyl-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

C17H25N3 — CID 79507017

IUPAC1-benzyl-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1(C)CCC2(CC1)CN=C(N)N2Cc1ccccc1
InChIInChI=1S/C17H25N3/c1-16(2)8-10-17(11-9-16)13-19-15(18)20(17)12-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H2,18,19)
InChIKeyLBYWMFFRCTUAQR-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.16
Rot. Bonds2

About 1-benzyl-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-benzyl-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79507017) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-benzyl-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-benzyl-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79507017
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-benzyl-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1(C)CCC2(CC1)CN=C(N)N2Cc1ccccc1
InChIInChI=1S/C17H25N3/c1-16(2)8-10-17(11-9-16)13-19-15(18)20(17)12-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H2,18,19)
InChIKeyLBYWMFFRCTUAQR-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-benzyl-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79507017) is 1-benzyl-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-benzyl-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-benzyl-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC1(C)CCC2(CC1)CN=C(N)N2Cc1ccccc1.
What is the InChIKey of 1-benzyl-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is LBYWMFFRCTUAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-16(2)8-10-17(11-9-16)13-19-15(18)20(17)12-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H2,18,19).
What are the key properties of 1-benzyl-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-benzyl-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79507017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).