1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

C8H16N4 — CID 79510718

IUPAC1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCN1C(N)=NCC12CCNCC2
InChIInChI=1S/C8H16N4/c1-12-7(9)11-6-8(12)2-4-10-5-3-8/h10H,2-6H2,1H3,(H2,9,11)
InChIKeyOFRMZMCBUCFUQE-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.63
Rot. Bonds

About 1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79510718) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
PubChem CID79510718
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCN1C(N)=NCC12CCNCC2
InChIInChI=1S/C8H16N4/c1-12-7(9)11-6-8(12)2-4-10-5-3-8/h10H,2-6H2,1H3,(H2,9,11)
InChIKeyOFRMZMCBUCFUQE-UHFFFAOYSA-N
XLogP-0.63
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,8-dimethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79510132
1-prop-2-enyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79497281
1'-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
CID 79509921
7-ethyl-1-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79509479
1-methyl-1,8-diazaspiro[4.5]decan-2-one
CID 66570377
1,5-dimethyl-5-(3-methylbutyl)-4H-imidazol-2-amine
CID 79510362
1,10-dimethyl-9-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79951497
1-(2-methoxyethyl)-7,7-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504860
7-ethyl-7-methyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79497807
8-methyl-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79504867
5-(4-bromophenyl)-1,5-dimethyl-4H-imidazol-2-amine
CID 79509925
1-(2-methylpropyl)-1,3-diazaspiro[4.7]dodec-2-en-2-amine
CID 79498245

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (CID 79510718) is 1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is CN1C(N)=NCC12CCNCC2.
What is the InChIKey of 1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is OFRMZMCBUCFUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-12-7(9)11-6-8(12)2-4-10-5-3-8/h10H,2-6H2,1H3,(H2,9,11).
What are the key properties of 1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 168.24 g/mol, XLogP of -0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79510718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).