2-imino-N,N-dimethyl-1,5-diazaspiro[5.5]undec-4-en-4-amine

C11H20N4 — CID 176534539

IUPAC2-imino-N,N-dimethyl-1,5-diazaspiro[5.5]undec-4-en-4-amine
SMILES[H]/N=C1\CC(N(C)C)=NC2(CCCCC2)N1
InChIInChI=1S/C11H20N4/c1-15(2)10-8-9(12)13-11(14-10)6-4-3-5-7-11/h3-8H2,1-2H3,(H2,12,13)
InChIKeyCVLVPLRGSBKYJJ-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.58
Rot. Bonds

About 2-imino-N,N-dimethyl-1,5-diazaspiro[5.5]undec-4-en-4-amine

2-imino-N,N-dimethyl-1,5-diazaspiro[5.5]undec-4-en-4-amine (PubChem CID 176534539) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-imino-N,N-dimethyl-1,5-diazaspiro[5.5]undec-4-en-4-amine.

Molecular Properties

Compound Name2-imino-N,N-dimethyl-1,5-diazaspiro[5.5]undec-4-en-4-amine
PubChem CID176534539
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-imino-N,N-dimethyl-1,5-diazaspiro[5.5]undec-4-en-4-amine
SMILES[H]/N=C1\CC(N(C)C)=NC2(CCCCC2)N1
InChIInChI=1S/C11H20N4/c1-15(2)10-8-9(12)13-11(14-10)6-4-3-5-7-11/h3-8H2,1-2H3,(H2,12,13)
InChIKeyCVLVPLRGSBKYJJ-UHFFFAOYSA-N
XLogP1.58
TPSA51.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.58
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-imino-N,N-dimethyl-1,5-diazaspiro[5.5]undec-4-en-4-amine?
The IUPAC name of 2-imino-N,N-dimethyl-1,5-diazaspiro[5.5]undec-4-en-4-amine (CID 176534539) is 2-imino-N,N-dimethyl-1,5-diazaspiro[5.5]undec-4-en-4-amine.
What is the SMILES notation for 2-imino-N,N-dimethyl-1,5-diazaspiro[5.5]undec-4-en-4-amine?
The canonical SMILES for 2-imino-N,N-dimethyl-1,5-diazaspiro[5.5]undec-4-en-4-amine is [H]/N=C1\CC(N(C)C)=NC2(CCCCC2)N1.
What is the InChIKey of 2-imino-N,N-dimethyl-1,5-diazaspiro[5.5]undec-4-en-4-amine?
The InChIKey is CVLVPLRGSBKYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-15(2)10-8-9(12)13-11(14-10)6-4-3-5-7-11/h3-8H2,1-2H3,(H2,12,13).
What are the key properties of 2-imino-N,N-dimethyl-1,5-diazaspiro[5.5]undec-4-en-4-amine?
2-imino-N,N-dimethyl-1,5-diazaspiro[5.5]undec-4-en-4-amine has a molecular weight of 208.31 g/mol, XLogP of 1.58, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N,N-dimethyl-1,5-diazaspiro[5.5]undec-4-en-4-amine is sourced from PubChem (CID 176534539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).