1-(2-methoxyethyl)-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine

C14H28N4O — CID 79504939

IUPAC1-(2-methoxyethyl)-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
SMILESCCCN1CCCC2(CC1)CN=C(N)N2CCOC
InChIInChI=1S/C14H28N4O/c1-3-7-17-8-4-5-14(6-9-17)12-16-13(15)18(14)10-11-19-2/h3-12H2,1-2H3,(H2,15,16)
InChIKeyCQTBITOWILLSSX-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.90
Rot. Bonds5

About 1-(2-methoxyethyl)-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine

1-(2-methoxyethyl)-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine (PubChem CID 79504939) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
PubChem CID79504939
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name1-(2-methoxyethyl)-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
SMILESCCCN1CCCC2(CC1)CN=C(N)N2CCOC
InChIInChI=1S/C14H28N4O/c1-3-7-17-8-4-5-14(6-9-17)12-16-13(15)18(14)10-11-19-2/h3-12H2,1-2H3,(H2,15,16)
InChIKeyCQTBITOWILLSSX-UHFFFAOYSA-N
XLogP0.90
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The IUPAC name of 1-(2-methoxyethyl)-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine (CID 79504939) is 1-(2-methoxyethyl)-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The canonical SMILES for 1-(2-methoxyethyl)-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine is CCCN1CCCC2(CC1)CN=C(N)N2CCOC.
What is the InChIKey of 1-(2-methoxyethyl)-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The InChIKey is CQTBITOWILLSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-3-7-17-8-4-5-14(6-9-17)12-16-13(15)18(14)10-11-19-2/h3-12H2,1-2H3,(H2,15,16).
What are the key properties of 1-(2-methoxyethyl)-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
1-(2-methoxyethyl)-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine has a molecular weight of 268.40 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine is sourced from PubChem (CID 79504939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).