1-(2-chlorophenyl)-7-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

C15H20ClN3 — CID 79505349

IUPAC1-(2-chlorophenyl)-7-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1CCCC2(CN=C(N)N2c2ccccc2Cl)C1
InChIInChI=1S/C15H20ClN3/c1-11-5-4-8-15(9-11)10-18-14(17)19(15)13-7-3-2-6-12(13)16/h2-3,6-7,11H,4-5,8-10H2,1H3,(H2,17,18)
InChIKeyRLDVGQFSILHDTK-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.42
Rot. Bonds1

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

1-(2-chlorophenyl)-7-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79505349) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-7-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-7-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79505349
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name1-(2-chlorophenyl)-7-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1CCCC2(CN=C(N)N2c2ccccc2Cl)C1
InChIInChI=1S/C15H20ClN3/c1-11-5-4-8-15(9-11)10-18-14(17)19(15)13-7-3-2-6-12(13)16/h2-3,6-7,11H,4-5,8-10H2,1H3,(H2,17,18)
InChIKeyRLDVGQFSILHDTK-UHFFFAOYSA-N
XLogP3.42
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 103565687
1-(2-chlorophenyl)-7-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 106874960
7-methyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505403
1-(2-fluorophenyl)-7-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79521117
1-(2-bromophenyl)-7-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79515144
1-(2-chlorophenyl)-7,9-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505721
1-(2-chlorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505128
1-(2-chlorophenyl)-6,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504751
1-(2-chlorophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504898
1-(2-chlorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79500013
7,7,9-trimethyl-1-(2-methylphenyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79499043
5-(4-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 103565712

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-7-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-7-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79505349) is 1-(2-chlorophenyl)-7-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-7-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-7-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC1CCCC2(CN=C(N)N2c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)-7-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is RLDVGQFSILHDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-11-5-4-8-15(9-11)10-18-14(17)19(15)13-7-3-2-6-12(13)16/h2-3,6-7,11H,4-5,8-10H2,1H3,(H2,17,18).
What are the key properties of 1-(2-chlorophenyl)-7-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(2-chlorophenyl)-7-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 277.80 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-7-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79505349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).