ethane;7-ethyl-4,7-diazaspiro[2.5]octane

C12H28N2 — CID 176567452

IUPACethane;7-ethyl-4,7-diazaspiro[2.5]octane
SMILESCC.CC.CCN1CCNC2(CC2)C1
InChIInChI=1S/C8H16N2.2C2H6/c1-2-10-6-5-9-8(7-10)3-4-8;2*1-2/h9H,2-7H2,1H3;2*1-2H3
InChIKeyHIHVNQKXZFLBIR-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.50
Rot. Bonds1

About ethane;7-ethyl-4,7-diazaspiro[2.5]octane

ethane;7-ethyl-4,7-diazaspiro[2.5]octane (PubChem CID 176567452) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is ethane;7-ethyl-4,7-diazaspiro[2.5]octane.

Molecular Properties

Compound Nameethane;7-ethyl-4,7-diazaspiro[2.5]octane
PubChem CID176567452
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Nameethane;7-ethyl-4,7-diazaspiro[2.5]octane
SMILESCC.CC.CCN1CCNC2(CC2)C1
InChIInChI=1S/C8H16N2.2C2H6/c1-2-10-6-5-9-8(7-10)3-4-8;2*1-2/h9H,2-7H2,1H3;2*1-2H3
InChIKeyHIHVNQKXZFLBIR-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1,4,9-triazaspiro[5.5]undecane
CID 167290889
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
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
9-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane
CID 65097156

Frequently Asked Questions

What is the IUPAC name of ethane;7-ethyl-4,7-diazaspiro[2.5]octane?
The IUPAC name of ethane;7-ethyl-4,7-diazaspiro[2.5]octane (CID 176567452) is ethane;7-ethyl-4,7-diazaspiro[2.5]octane.
What is the SMILES notation for ethane;7-ethyl-4,7-diazaspiro[2.5]octane?
The canonical SMILES for ethane;7-ethyl-4,7-diazaspiro[2.5]octane is CC.CC.CCN1CCNC2(CC2)C1.
What is the InChIKey of ethane;7-ethyl-4,7-diazaspiro[2.5]octane?
The InChIKey is HIHVNQKXZFLBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.2C2H6/c1-2-10-6-5-9-8(7-10)3-4-8;2*1-2/h9H,2-7H2,1H3;2*1-2H3.
What are the key properties of ethane;7-ethyl-4,7-diazaspiro[2.5]octane?
ethane;7-ethyl-4,7-diazaspiro[2.5]octane has a molecular weight of 200.37 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-ethyl-4,7-diazaspiro[2.5]octane is sourced from PubChem (CID 176567452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).