2-ethylimino-N,N-dimethyl-1,3,5-triazaspiro[5.5]undec-4-en-4-amine;hydrochloride

C12H24ClN5 — CID 135409266

IUPAC2-ethylimino-N,N-dimethyl-1,3,5-triazaspiro[5.5]undec-4-en-4-amine;hydrochloride
SMILESCC/N=C1\NC(N(C)C)=NC2(CCCCC2)N1.Cl
InChIInChI=1S/C12H23N5.ClH/c1-4-13-10-14-11(17(2)3)16-12(15-10)8-6-5-7-9-12;/h4-9H2,1-3H3,(H2,13,14,15,16);1H
InChIKeyOWMGKNITYOZEAK-UHFFFAOYSA-N
MW273.81 g/mol
LogP1.55
Rot. Bonds1

About 2-ethylimino-N,N-dimethyl-1,3,5-triazaspiro[5.5]undec-4-en-4-amine;hydrochloride

2-ethylimino-N,N-dimethyl-1,3,5-triazaspiro[5.5]undec-4-en-4-amine;hydrochloride (PubChem CID 135409266) has the molecular formula C12H24ClN5 and a molecular weight of 273.81 g/mol. Its IUPAC name is 2-ethylimino-N,N-dimethyl-1,3,5-triazaspiro[5.5]undec-4-en-4-amine;hydrochloride.

Molecular Properties

Compound Name2-ethylimino-N,N-dimethyl-1,3,5-triazaspiro[5.5]undec-4-en-4-amine;hydrochloride
PubChem CID135409266
Molecular FormulaC12H24ClN5
Molecular Weight273.81 g/mol
Exact Mass273.17
IUPAC Name2-ethylimino-N,N-dimethyl-1,3,5-triazaspiro[5.5]undec-4-en-4-amine;hydrochloride
SMILESCC/N=C1\NC(N(C)C)=NC2(CCCCC2)N1.Cl
InChIInChI=1S/C12H23N5.ClH/c1-4-13-10-14-11(17(2)3)16-12(15-10)8-6-5-7-9-12;/h4-9H2,1-3H3,(H2,13,14,15,16);1H
InChIKeyOWMGKNITYOZEAK-UHFFFAOYSA-N
XLogP1.55
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethylimino-N,N-dimethyl-1,3,5-triazaspiro[5.5]undec-4-en-4-amine;hydrochloride?
The IUPAC name of 2-ethylimino-N,N-dimethyl-1,3,5-triazaspiro[5.5]undec-4-en-4-amine;hydrochloride (CID 135409266) is 2-ethylimino-N,N-dimethyl-1,3,5-triazaspiro[5.5]undec-4-en-4-amine;hydrochloride.
What is the SMILES notation for 2-ethylimino-N,N-dimethyl-1,3,5-triazaspiro[5.5]undec-4-en-4-amine;hydrochloride?
The canonical SMILES for 2-ethylimino-N,N-dimethyl-1,3,5-triazaspiro[5.5]undec-4-en-4-amine;hydrochloride is CC/N=C1\NC(N(C)C)=NC2(CCCCC2)N1.Cl.
What is the InChIKey of 2-ethylimino-N,N-dimethyl-1,3,5-triazaspiro[5.5]undec-4-en-4-amine;hydrochloride?
The InChIKey is OWMGKNITYOZEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5.ClH/c1-4-13-10-14-11(17(2)3)16-12(15-10)8-6-5-7-9-12;/h4-9H2,1-3H3,(H2,13,14,15,16);1H.
What are the key properties of 2-ethylimino-N,N-dimethyl-1,3,5-triazaspiro[5.5]undec-4-en-4-amine;hydrochloride?
2-ethylimino-N,N-dimethyl-1,3,5-triazaspiro[5.5]undec-4-en-4-amine;hydrochloride has a molecular weight of 273.81 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylimino-N,N-dimethyl-1,3,5-triazaspiro[5.5]undec-4-en-4-amine;hydrochloride is sourced from PubChem (CID 135409266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).