1-(3-chlorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine

C14H18ClN3O — CID 79504985

IUPAC1-(3-chlorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1CC2(CCO1)CN=C(N)N2c1cccc(Cl)c1
InChIInChI=1S/C14H18ClN3O/c1-10-8-14(5-6-19-10)9-17-13(16)18(14)12-4-2-3-11(15)7-12/h2-4,7,10H,5-6,8-9H2,1H3,(H2,16,17)
InChIKeyQJHDZALUMPELKF-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.41
Rot. Bonds1

About 1-(3-chlorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-(3-chlorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79504985) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79504985
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1-(3-chlorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC1CC2(CCO1)CN=C(N)N2c1cccc(Cl)c1
InChIInChI=1S/C14H18ClN3O/c1-10-8-14(5-6-19-10)9-17-13(16)18(14)12-4-2-3-11(15)7-12/h2-4,7,10H,5-6,8-9H2,1H3,(H2,16,17)
InChIKeyQJHDZALUMPELKF-UHFFFAOYSA-N
XLogP2.41
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79504985) is 1-(3-chlorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC1CC2(CCO1)CN=C(N)N2c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is QJHDZALUMPELKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-10-8-14(5-6-19-10)9-17-13(16)18(14)12-4-2-3-11(15)7-12/h2-4,7,10H,5-6,8-9H2,1H3,(H2,16,17).
What are the key properties of 1-(3-chlorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(3-chlorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 279.77 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79504985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).