1-ethyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane

C14H28N2 — CID 64839273

IUPAC1-ethyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCCN1CC(C(C)C)NCC12CCCCC2
InChIInChI=1S/C14H28N2/c1-4-16-10-13(12(2)3)15-11-14(16)8-6-5-7-9-14/h12-13,15H,4-11H2,1-3H3
InChIKeyKEMNUELCTQOQRE-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds2

About 1-ethyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane

1-ethyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane (PubChem CID 64839273) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-ethyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-ethyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
PubChem CID64839273
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-ethyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCCN1CC(C(C)C)NCC12CCCCC2
InChIInChI=1S/C14H28N2/c1-4-16-10-13(12(2)3)15-11-14(16)8-6-5-7-9-14/h12-13,15H,4-11H2,1-3H3
InChIKeyKEMNUELCTQOQRE-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-propan-2-yl-6-propyl-6,9-diazaspiro[4.5]decane
CID 64839855
1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 65461470
1-(2-ethylsulfonylethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 106732916
1-[(E)-3-chloroprop-2-enyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 107901489
6-[2-(2-methylpropoxy)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 106458569
6-[(4-chlorophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64838297
3-butan-2-yl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane
CID 80696604
1-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 82872305
3-butan-2-yl-1-hexyl-1,4-diazaspiro[5.5]undecane
CID 64848074
8-propan-2-yl-6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64840047
6-[(5-bromothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64840241
8-butan-2-yl-6-(cyclobutylmethyl)-6,9-diazaspiro[4.5]decane
CID 65462680

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-ethyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane (CID 64839273) is 1-ethyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-ethyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-ethyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane is CCN1CC(C(C)C)NCC12CCCCC2.
What is the InChIKey of 1-ethyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The InChIKey is KEMNUELCTQOQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-16-10-13(12(2)3)15-11-14(16)8-6-5-7-9-14/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 1-ethyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
1-ethyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane has a molecular weight of 224.39 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64839273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).