4-(3-ethylpentan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane

C17H34N2 — CID 64941030

IUPAC4-(3-ethylpentan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCCC(CC)C(C)N1CC2(CCCCC2)NCC1C
InChIInChI=1S/C17H34N2/c1-5-16(6-2)15(4)19-13-17(18-12-14(19)3)10-8-7-9-11-17/h14-16,18H,5-13H2,1-4H3
InChIKeyAFEBYQNOHOSSDH-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.81
Rot. Bonds4

About 4-(3-ethylpentan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane

4-(3-ethylpentan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane (PubChem CID 64941030) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 4-(3-ethylpentan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(3-ethylpentan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane
PubChem CID64941030
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name4-(3-ethylpentan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCCC(CC)C(C)N1CC2(CCCCC2)NCC1C
InChIInChI=1S/C17H34N2/c1-5-16(6-2)15(4)19-13-17(18-12-14(19)3)10-8-7-9-11-17/h14-16,18H,5-13H2,1-4H3
InChIKeyAFEBYQNOHOSSDH-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64877989
8-methyl-9-(2-methylpentan-3-yl)-6,9-diazaspiro[4.5]decane
CID 64947965
4-(1-cyclopropylbutan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64940472
3-methyl-4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64877798
9-(1-cyclopropylethyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64934634
8-methyl-9-octan-4-yl-6,9-diazaspiro[4.5]decane
CID 106027228
9-ethyl-8-methyl-6,9-diazaspiro[4.5]decane
CID 64877161
3-methyl-4-[1-(5-methylfuran-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane
CID 64947987
8-methyl-9-(2-methylpentyl)-6,9-diazaspiro[4.5]decane
CID 64875816
4-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64947852
2-[1-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole
CID 64939348
3-ethyl-4-hexan-3-yl-1,4-diazaspiro[5.5]undecane
CID 64945645

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpentan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(3-ethylpentan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane (CID 64941030) is 4-(3-ethylpentan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(3-ethylpentan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(3-ethylpentan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane is CCC(CC)C(C)N1CC2(CCCCC2)NCC1C.
What is the InChIKey of 4-(3-ethylpentan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is AFEBYQNOHOSSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-16(6-2)15(4)19-13-17(18-12-14(19)3)10-8-7-9-11-17/h14-16,18H,5-13H2,1-4H3.
What are the key properties of 4-(3-ethylpentan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane?
4-(3-ethylpentan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 266.47 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpentan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64941030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).