8-ethyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine

C18H27N3 — CID 79500137

IUPAC8-ethyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESCCC1CCCC2(CC1)CN=C(N)N2c1cccc(C)c1
InChIInChI=1S/C18H27N3/c1-3-15-7-5-10-18(11-9-15)13-20-17(19)21(18)16-8-4-6-14(2)12-16/h4,6,8,12,15H,3,5,7,9-11,13H2,1-2H3,(H2,19,20)
InChIKeyNANSBFAYHAYUCW-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.86
Rot. Bonds2

About 8-ethyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine

8-ethyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine (PubChem CID 79500137) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 8-ethyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine.

Molecular Properties

Compound Name8-ethyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
PubChem CID79500137
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name8-ethyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESCCC1CCCC2(CC1)CN=C(N)N2c1cccc(C)c1
InChIInChI=1S/C18H27N3/c1-3-15-7-5-10-18(11-9-15)13-20-17(19)21(18)16-8-4-6-14(2)12-16/h4,6,8,12,15H,3,5,7,9-11,13H2,1-2H3,(H2,19,20)
InChIKeyNANSBFAYHAYUCW-UHFFFAOYSA-N
XLogP3.86
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The IUPAC name of 8-ethyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine (CID 79500137) is 8-ethyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine.
What is the SMILES notation for 8-ethyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The canonical SMILES for 8-ethyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine is CCC1CCCC2(CC1)CN=C(N)N2c1cccc(C)c1.
What is the InChIKey of 8-ethyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The InChIKey is NANSBFAYHAYUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-15-7-5-10-18(11-9-15)13-20-17(19)21(18)16-8-4-6-14(2)12-16/h4,6,8,12,15H,3,5,7,9-11,13H2,1-2H3,(H2,19,20).
What are the key properties of 8-ethyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine?
8-ethyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine has a molecular weight of 285.44 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1-(3-methylphenyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine is sourced from PubChem (CID 79500137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).