ethane;7-methyl-5-azaspiro[2.5]octane

C12H27N — CID 144927405

IUPACethane;7-methyl-5-azaspiro[2.5]octane
SMILESCC.CC.CC1CNCC2(CC2)C1
InChIInChI=1S/C8H15N.2C2H6/c1-7-4-8(2-3-8)6-9-5-7;2*1-2/h7,9H,2-6H2,1H3;2*1-2H3
InChIKeyBHGAMQKPESTGNT-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.45
Rot. Bonds

About ethane;7-methyl-5-azaspiro[2.5]octane

ethane;7-methyl-5-azaspiro[2.5]octane (PubChem CID 144927405) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is ethane;7-methyl-5-azaspiro[2.5]octane.

Molecular Properties

Compound Nameethane;7-methyl-5-azaspiro[2.5]octane
PubChem CID144927405
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Nameethane;7-methyl-5-azaspiro[2.5]octane
SMILESCC.CC.CC1CNCC2(CC2)C1
InChIInChI=1S/C8H15N.2C2H6/c1-7-4-8(2-3-8)6-9-5-7;2*1-2/h7,9H,2-6H2,1H3;2*1-2H3
InChIKeyBHGAMQKPESTGNT-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-propan-2-yl-5-azaspiro[2.5]octane
CID 118287950
7-methyl-5,8-diazaspiro[2.6]nonane
CID 66654182
3,5-dimethyl-3-(2-methylpropyl)piperidine
CID 130351584
methyl (3S)-3-methoxy-5-methylpiperidine-3-carboxylate
CID 178133237
3,8-dimethylspiro[4.4]nonane;ethane
CID 178108265
2,6-dimethylspiro[3.3]heptane
CID 21304360
ethane;3-methylazetidine
CID 90730870
(3-cyclopropyl-5-methylpiperidin-3-yl)methanol
CID 131014988
ethane;2-methylspiro[3.5]nonane
CID 164868147
2,2-difluoro-5-methyl-7-azaspiro[2.6]nonane-1-carboxylic acid
CID 156736162
3-ethyl-5-methylpiperidine-3-carboxylic acid
CID 130899276
2-(5-azaspiro[2.5]octan-7-ylmethyl)-7-methyl-5-oxa-8-azaspiro[3.5]nonane
CID 138702651

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-5-azaspiro[2.5]octane?
The IUPAC name of ethane;7-methyl-5-azaspiro[2.5]octane (CID 144927405) is ethane;7-methyl-5-azaspiro[2.5]octane.
What is the SMILES notation for ethane;7-methyl-5-azaspiro[2.5]octane?
The canonical SMILES for ethane;7-methyl-5-azaspiro[2.5]octane is CC.CC.CC1CNCC2(CC2)C1.
What is the InChIKey of ethane;7-methyl-5-azaspiro[2.5]octane?
The InChIKey is BHGAMQKPESTGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.2C2H6/c1-7-4-8(2-3-8)6-9-5-7;2*1-2/h7,9H,2-6H2,1H3;2*1-2H3.
What are the key properties of ethane;7-methyl-5-azaspiro[2.5]octane?
ethane;7-methyl-5-azaspiro[2.5]octane has a molecular weight of 185.35 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-5-azaspiro[2.5]octane is sourced from PubChem (CID 144927405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).