4-amino-1-methyl-9-propyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one

C12H22N4O — CID 79959917

IUPAC4-amino-1-methyl-9-propyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one
SMILESCCCN1CCCC2(CC1)C(N)=NC(=O)N2C
InChIInChI=1S/C12H22N4O/c1-3-7-16-8-4-5-12(6-9-16)10(13)14-11(17)15(12)2/h3-9H2,1-2H3,(H2,13,14,17)
InChIKeyKKNYYMWBRBLYKJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.04
Rot. Bonds2

About 4-amino-1-methyl-9-propyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one

4-amino-1-methyl-9-propyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one (PubChem CID 79959917) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-amino-1-methyl-9-propyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-methyl-9-propyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one
PubChem CID79959917
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-amino-1-methyl-9-propyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one
SMILESCCCN1CCCC2(CC1)C(N)=NC(=O)N2C
InChIInChI=1S/C12H22N4O/c1-3-7-16-8-4-5-12(6-9-16)10(13)14-11(17)15(12)2/h3-9H2,1-2H3,(H2,13,14,17)
InChIKeyKKNYYMWBRBLYKJ-UHFFFAOYSA-N
XLogP1.04
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-9-propyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
The IUPAC name of 4-amino-1-methyl-9-propyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one (CID 79959917) is 4-amino-1-methyl-9-propyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one.
What is the SMILES notation for 4-amino-1-methyl-9-propyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
The canonical SMILES for 4-amino-1-methyl-9-propyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one is CCCN1CCCC2(CC1)C(N)=NC(=O)N2C.
What is the InChIKey of 4-amino-1-methyl-9-propyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
The InChIKey is KKNYYMWBRBLYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-7-16-8-4-5-12(6-9-16)10(13)14-11(17)15(12)2/h3-9H2,1-2H3,(H2,13,14,17).
What are the key properties of 4-amino-1-methyl-9-propyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one?
4-amino-1-methyl-9-propyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one has a molecular weight of 238.33 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-9-propyl-1,3,9-triazaspiro[4.6]undec-3-en-2-one is sourced from PubChem (CID 79959917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).