4-ethyl-1,4,9-triazaspiro[5.5]undecane

C10H21N3 — CID 167290889

IUPAC4-ethyl-1,4,9-triazaspiro[5.5]undecane
SMILESCCN1CCNC2(CCNCC2)C1
InChIInChI=1S/C10H21N3/c1-2-13-8-7-12-10(9-13)3-5-11-6-4-10/h11-12H,2-9H2,1H3
InChIKeyIOUJIGZGIUWABI-UHFFFAOYSA-N
MW183.30 g/mol
LogP0.03
Rot. Bonds1

About 4-ethyl-1,4,9-triazaspiro[5.5]undecane

4-ethyl-1,4,9-triazaspiro[5.5]undecane (PubChem CID 167290889) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 4-ethyl-1,4,9-triazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-ethyl-1,4,9-triazaspiro[5.5]undecane
PubChem CID167290889
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name4-ethyl-1,4,9-triazaspiro[5.5]undecane
SMILESCCN1CCNC2(CCNCC2)C1
InChIInChI=1S/C10H21N3/c1-2-13-8-7-12-10(9-13)3-5-11-6-4-10/h11-12H,2-9H2,1H3
InChIKeyIOUJIGZGIUWABI-UHFFFAOYSA-N
XLogP0.03
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;7-ethyl-4,7-diazaspiro[2.5]octane
CID 176567452
ethane;7-ethyl-1,7-diazaspiro[3.4]octane;molecular hydrogen
CID 143973878
8-ethyl-1,8-diazaspiro[5.5]undecane
CID 83618601
(5S)-9-ethyl-2-oxa-6,9-diazaspiro[4.5]decane
CID 129498775
4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane
CID 139359285
9-(2-methylbutyl)-6,9-diazaspiro[4.5]decane
CID 64833062
4-[(1-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64954612
4-decyl-1,4-diazaspiro[5.5]undecane
CID 64831885
4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64833666
9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane
CID 106458471
4-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 79351240
9-(3-methylbut-2-enyl)-6,9-diazaspiro[4.5]decane
CID 107901364

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,4,9-triazaspiro[5.5]undecane?
The IUPAC name of 4-ethyl-1,4,9-triazaspiro[5.5]undecane (CID 167290889) is 4-ethyl-1,4,9-triazaspiro[5.5]undecane.
What is the SMILES notation for 4-ethyl-1,4,9-triazaspiro[5.5]undecane?
The canonical SMILES for 4-ethyl-1,4,9-triazaspiro[5.5]undecane is CCN1CCNC2(CCNCC2)C1.
What is the InChIKey of 4-ethyl-1,4,9-triazaspiro[5.5]undecane?
The InChIKey is IOUJIGZGIUWABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-2-13-8-7-12-10(9-13)3-5-11-6-4-10/h11-12H,2-9H2,1H3.
What are the key properties of 4-ethyl-1,4,9-triazaspiro[5.5]undecane?
4-ethyl-1,4,9-triazaspiro[5.5]undecane has a molecular weight of 183.30 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,4,9-triazaspiro[5.5]undecane is sourced from PubChem (CID 167290889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).