8-ethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine

C16H29N3O — CID 79504811

IUPAC8-ethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESCCC1CCCC2(CC1)CN=C(N)N2CC1CCCO1
InChIInChI=1S/C16H29N3O/c1-2-13-5-3-8-16(9-7-13)12-18-15(17)19(16)11-14-6-4-10-20-14/h13-14H,2-12H2,1H3,(H2,17,18)
InChIKeyAKZPHXZJFQJWHG-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.52
Rot. Bonds3

About 8-ethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine

8-ethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine (PubChem CID 79504811) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 8-ethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine.

Molecular Properties

Compound Name8-ethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
PubChem CID79504811
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name8-ethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESCCC1CCCC2(CC1)CN=C(N)N2CC1CCCO1
InChIInChI=1S/C16H29N3O/c1-2-13-5-3-8-16(9-7-13)12-18-15(17)19(16)11-14-6-4-10-20-14/h13-14H,2-12H2,1H3,(H2,17,18)
InChIKeyAKZPHXZJFQJWHG-UHFFFAOYSA-N
XLogP2.52
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The IUPAC name of 8-ethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine (CID 79504811) is 8-ethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine.
What is the SMILES notation for 8-ethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The canonical SMILES for 8-ethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine is CCC1CCCC2(CC1)CN=C(N)N2CC1CCCO1.
What is the InChIKey of 8-ethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The InChIKey is AKZPHXZJFQJWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-2-13-5-3-8-16(9-7-13)12-18-15(17)19(16)11-14-6-4-10-20-14/h13-14H,2-12H2,1H3,(H2,17,18).
What are the key properties of 8-ethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine?
8-ethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine has a molecular weight of 279.43 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine is sourced from PubChem (CID 79504811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).