3-ethyl-4-hexan-3-yl-1,4-diazaspiro[5.5]undecane

C17H34N2 — CID 64945645

IUPAC3-ethyl-4-hexan-3-yl-1,4-diazaspiro[5.5]undecane
SMILESCCCC(CC)N1CC2(CCCCC2)NCC1CC
InChIInChI=1S/C17H34N2/c1-4-10-15(5-2)19-14-17(11-8-7-9-12-17)18-13-16(19)6-3/h15-16,18H,4-14H2,1-3H3
InChIKeyUTXQBHVYQSDPLA-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.95
Rot. Bonds5

About 3-ethyl-4-hexan-3-yl-1,4-diazaspiro[5.5]undecane

3-ethyl-4-hexan-3-yl-1,4-diazaspiro[5.5]undecane (PubChem CID 64945645) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 3-ethyl-4-hexan-3-yl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-ethyl-4-hexan-3-yl-1,4-diazaspiro[5.5]undecane
PubChem CID64945645
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name3-ethyl-4-hexan-3-yl-1,4-diazaspiro[5.5]undecane
SMILESCCCC(CC)N1CC2(CCCCC2)NCC1CC
InChIInChI=1S/C17H34N2/c1-4-10-15(5-2)19-14-17(11-8-7-9-12-17)18-13-16(19)6-3/h15-16,18H,4-14H2,1-3H3
InChIKeyUTXQBHVYQSDPLA-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-4-hexan-3-yl-1,4-diazaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-ethyl-9-pentan-2-yl-6,9-diazaspiro[4.5]decane
CID 64930793
8-ethyl-9-octan-2-yl-6,9-diazaspiro[4.5]decane
CID 64946256
8-ethyl-9-pent-1-yn-3-yl-6,9-diazaspiro[4.5]decane
CID 106224522
3-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)-N,N-dimethylbutan-1-amine
CID 64947270
8-methyl-9-octan-4-yl-6,9-diazaspiro[4.5]decane
CID 106027228
8-ethyl-9-[1-(4-methylphenyl)ethyl]-6,9-diazaspiro[4.5]decane
CID 64948229
4-(1-cyclopropylbutan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64940472
4-ethyl-3-propyl-1,4-diazaspiro[5.5]undecane
CID 64877421
9-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64948572
3-ethyl-4-(2-methylsulfanylpropyl)-1,4-diazaspiro[5.5]undecane
CID 113466942
4-prop-2-enyl-3-propyl-1,4-diazaspiro[5.5]undecane
CID 64878190
4-[1-(8-ethyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79231699

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hexan-3-yl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-ethyl-4-hexan-3-yl-1,4-diazaspiro[5.5]undecane (CID 64945645) is 3-ethyl-4-hexan-3-yl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-ethyl-4-hexan-3-yl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-ethyl-4-hexan-3-yl-1,4-diazaspiro[5.5]undecane is CCCC(CC)N1CC2(CCCCC2)NCC1CC.
What is the InChIKey of 3-ethyl-4-hexan-3-yl-1,4-diazaspiro[5.5]undecane?
The InChIKey is UTXQBHVYQSDPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-10-15(5-2)19-14-17(11-8-7-9-12-17)18-13-16(19)6-3/h15-16,18H,4-14H2,1-3H3.
What are the key properties of 3-ethyl-4-hexan-3-yl-1,4-diazaspiro[5.5]undecane?
3-ethyl-4-hexan-3-yl-1,4-diazaspiro[5.5]undecane has a molecular weight of 266.47 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hexan-3-yl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64945645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).