1,8-dimethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine

C11H21N3 — CID 79510132

IUPAC1,8-dimethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESCC1CCCC2(CC1)CN=C(N)N2C
InChIInChI=1S/C11H21N3/c1-9-4-3-6-11(7-5-9)8-13-10(12)14(11)2/h9H,3-8H2,1-2H3,(H2,12,13)
InChIKeyQPCQGZBUMDMREA-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.59
Rot. Bonds

About 1,8-dimethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine

1,8-dimethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine (PubChem CID 79510132) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1,8-dimethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine.

Molecular Properties

Compound Name1,8-dimethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
PubChem CID79510132
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1,8-dimethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESCC1CCCC2(CC1)CN=C(N)N2C
InChIInChI=1S/C11H21N3/c1-9-4-3-6-11(7-5-9)8-13-10(12)14(11)2/h9H,3-8H2,1-2H3,(H2,12,13)
InChIKeyQPCQGZBUMDMREA-UHFFFAOYSA-N
XLogP1.59
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The IUPAC name of 1,8-dimethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine (CID 79510132) is 1,8-dimethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine.
What is the SMILES notation for 1,8-dimethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The canonical SMILES for 1,8-dimethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine is CC1CCCC2(CC1)CN=C(N)N2C.
What is the InChIKey of 1,8-dimethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The InChIKey is QPCQGZBUMDMREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9-4-3-6-11(7-5-9)8-13-10(12)14(11)2/h9H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of 1,8-dimethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
1,8-dimethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine is sourced from PubChem (CID 79510132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).