1-(2-chlorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

C16H23ClN4 — CID 79500013

IUPAC1-(2-chlorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCCCN1CCC2(CC1)CN=C(N)N2c1ccccc1Cl
InChIInChI=1S/C16H23ClN4/c1-2-9-20-10-7-16(8-11-20)12-19-15(18)21(16)14-6-4-3-5-13(14)17/h3-6H,2,7-12H2,1H3,(H2,18,19)
InChIKeyHKYLBIGYUASMTJ-UHFFFAOYSA-N
MW306.84 g/mol
LogP2.72
Rot. Bonds3

About 1-(2-chlorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

1-(2-chlorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79500013) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
PubChem CID79500013
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC Name1-(2-chlorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCCCN1CCC2(CC1)CN=C(N)N2c1ccccc1Cl
InChIInChI=1S/C16H23ClN4/c1-2-9-20-10-7-16(8-11-20)12-19-15(18)21(16)14-6-4-3-5-13(14)17/h3-6H,2,7-12H2,1H3,(H2,18,19)
InChIKeyHKYLBIGYUASMTJ-UHFFFAOYSA-N
XLogP2.72
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (CID 79500013) is 1-(2-chlorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is CCCN1CCC2(CC1)CN=C(N)N2c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is HKYLBIGYUASMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4/c1-2-9-20-10-7-16(8-11-20)12-19-15(18)21(16)14-6-4-3-5-13(14)17/h3-6H,2,7-12H2,1H3,(H2,18,19).
What are the key properties of 1-(2-chlorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
1-(2-chlorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 306.84 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79500013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).