6-but-3-en-2-yl-6-azaspiro[3.5]nonane

C12H21N — CID 130905971

IUPAC6-but-3-en-2-yl-6-azaspiro[3.5]nonane
SMILESC=CC(C)N1CCCC2(CCC2)C1
InChIInChI=1S/C12H21N/c1-3-11(2)13-9-5-8-12(10-13)6-4-7-12/h3,11H,1,4-10H2,2H3
InChIKeyRQHGSKDNRHDJBS-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.83
Rot. Bonds2

About 6-but-3-en-2-yl-6-azaspiro[3.5]nonane

6-but-3-en-2-yl-6-azaspiro[3.5]nonane (PubChem CID 130905971) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 6-but-3-en-2-yl-6-azaspiro[3.5]nonane.

Molecular Properties

Compound Name6-but-3-en-2-yl-6-azaspiro[3.5]nonane
PubChem CID130905971
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name6-but-3-en-2-yl-6-azaspiro[3.5]nonane
SMILESC=CC(C)N1CCCC2(CCC2)C1
InChIInChI=1S/C12H21N/c1-3-11(2)13-9-5-8-12(10-13)6-4-7-12/h3,11H,1,4-10H2,2H3
InChIKeyRQHGSKDNRHDJBS-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-but-3-en-2-yl-3,3-difluoropyrrolidine
CID 130736637
2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;ethane
CID 172605205
8-propan-2-yl-2,8-diazaspiro[3.5]nonane-2-carbaldehyde
CID 171415652
1-but-3-en-2-yl-4-methylpiperidin-4-ol
CID 80702409
1-[(2R)-but-3-en-2-yl]-4-fluoro-4-methylpiperidine
CID 174254467
1-but-3-en-2-yl-3-hydroxypyrrolidine-3-carboxamide
CID 126979743
4-but-3-en-2-yl-6,6-difluoro-1,4-oxazepane
CID 130660254
1-but-3-en-2-yl-4-methylazepane
CID 131042080
1-but-3-en-2-yl-4-methoxy-4-methylpiperidine
CID 126988728
1-but-3-en-2-yl-4-ethyl-4-methylpiperidine
CID 130841239
ethane;2-propan-2-yl-2-azaspiro[4.5]decane
CID 144877753
(1-but-3-en-2-yl-4-methylpiperidin-4-yl)methanol
CID 127000307

Frequently Asked Questions

What is the IUPAC name of 6-but-3-en-2-yl-6-azaspiro[3.5]nonane?
The IUPAC name of 6-but-3-en-2-yl-6-azaspiro[3.5]nonane (CID 130905971) is 6-but-3-en-2-yl-6-azaspiro[3.5]nonane.
What is the SMILES notation for 6-but-3-en-2-yl-6-azaspiro[3.5]nonane?
The canonical SMILES for 6-but-3-en-2-yl-6-azaspiro[3.5]nonane is C=CC(C)N1CCCC2(CCC2)C1.
What is the InChIKey of 6-but-3-en-2-yl-6-azaspiro[3.5]nonane?
The InChIKey is RQHGSKDNRHDJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-3-11(2)13-9-5-8-12(10-13)6-4-7-12/h3,11H,1,4-10H2,2H3.
What are the key properties of 6-but-3-en-2-yl-6-azaspiro[3.5]nonane?
6-but-3-en-2-yl-6-azaspiro[3.5]nonane has a molecular weight of 179.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-en-2-yl-6-azaspiro[3.5]nonane is sourced from PubChem (CID 130905971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).