5-butyl-5-azaspiro[2.5]octane

C11H21N — CID 130224729

IUPAC5-butyl-5-azaspiro[2.5]octane
SMILESCCCCN1CCCC2(CC2)C1
InChIInChI=1S/C11H21N/c1-2-3-8-12-9-4-5-11(10-12)6-7-11/h2-10H2,1H3
InChIKeyBPUVBYUGPAJKTR-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.66
Rot. Bonds3

About 5-butyl-5-azaspiro[2.5]octane

5-butyl-5-azaspiro[2.5]octane (PubChem CID 130224729) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 5-butyl-5-azaspiro[2.5]octane.

Molecular Properties

Compound Name5-butyl-5-azaspiro[2.5]octane
PubChem CID130224729
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name5-butyl-5-azaspiro[2.5]octane
SMILESCCCCN1CCCC2(CC2)C1
InChIInChI=1S/C11H21N/c1-2-3-8-12-9-4-5-11(10-12)6-7-11/h2-10H2,1H3
InChIKeyBPUVBYUGPAJKTR-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-2-azaspiro[3.3]heptane
CID 170365296
2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane
CID 156829992
9-ethyl-2-propyl-2,9-diazaspiro[4.5]decane
CID 129100662
4-(5-azaspiro[2.5]octan-5-yl)-2-methylbutan-2-ol
CID 127900251
6-(2-fluoroethyl)-6-azaspiro[3.5]nonane
CID 131131774
1-butylazetidine;ethane
CID 143628082
3-amino-1-butylpiperidine-3-carboxylic acid
CID 117011811
2-butyl-8-(cyclopentylmethyl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine
CID 118662024
4,4-dimethyl-1-pentylazepane
CID 18723213
1-(2-butoxyethyl)-3,3-difluoropiperidine
CID 154627823
3-amino-1-pentylpiperidine-3-carbonitrile
CID 117012870
8-butyl-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70745912

Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-azaspiro[2.5]octane?
The IUPAC name of 5-butyl-5-azaspiro[2.5]octane (CID 130224729) is 5-butyl-5-azaspiro[2.5]octane.
What is the SMILES notation for 5-butyl-5-azaspiro[2.5]octane?
The canonical SMILES for 5-butyl-5-azaspiro[2.5]octane is CCCCN1CCCC2(CC2)C1.
What is the InChIKey of 5-butyl-5-azaspiro[2.5]octane?
The InChIKey is BPUVBYUGPAJKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-2-3-8-12-9-4-5-11(10-12)6-7-11/h2-10H2,1H3.
What are the key properties of 5-butyl-5-azaspiro[2.5]octane?
5-butyl-5-azaspiro[2.5]octane has a molecular weight of 167.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-azaspiro[2.5]octane is sourced from PubChem (CID 130224729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).