8-propan-2-yl-8-azaspiro[4.5]deca-1,3-diene

C12H19N — CID 162769943

IUPAC8-propan-2-yl-8-azaspiro[4.5]deca-1,3-diene
SMILESCC(C)N1CCC2(C=CC=C2)CC1
InChIInChI=1S/C12H19N/c1-11(2)13-9-7-12(8-10-13)5-3-4-6-12/h3-6,11H,7-10H2,1-2H3
InChIKeyYTHBIPSCINAOSX-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.60
Rot. Bonds1

About 8-propan-2-yl-8-azaspiro[4.5]deca-1,3-diene

8-propan-2-yl-8-azaspiro[4.5]deca-1,3-diene (PubChem CID 162769943) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 8-propan-2-yl-8-azaspiro[4.5]deca-1,3-diene.

Molecular Properties

Compound Name8-propan-2-yl-8-azaspiro[4.5]deca-1,3-diene
PubChem CID162769943
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name8-propan-2-yl-8-azaspiro[4.5]deca-1,3-diene
SMILESCC(C)N1CCC2(C=CC=C2)CC1
InChIInChI=1S/C12H19N/c1-11(2)13-9-7-12(8-10-13)5-3-4-6-12/h3-6,11H,7-10H2,1-2H3
InChIKeyYTHBIPSCINAOSX-UHFFFAOYSA-N
XLogP2.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-methyl-1-propan-2-ylpiperidin-4-yl)phosphane
CID 175635218
6-propan-2-yl-1,6-diazaspiro[2.5]octane
CID 58584452
1,4-di(propan-2-yl)piperidin-4-amine
CID 167417701
4-iodo-1-propan-2-ylpiperidin-4-amine
CID 155455763
1-methyl-1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]
CID 70810453
propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane
CID 170791695
1-propan-2-yl-4,4-dipropylpiperidine
CID 89468851
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
CID 163266549
(4S)-3,3-difluoro-8-propan-2-yl-8-azaspiro[4.5]decan-4-amine
CID 146477426
8-iodo-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 135200103
2,3,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-2-ene
CID 176829653
ethane;2-methyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 177025738

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-8-azaspiro[4.5]deca-1,3-diene?
The IUPAC name of 8-propan-2-yl-8-azaspiro[4.5]deca-1,3-diene (CID 162769943) is 8-propan-2-yl-8-azaspiro[4.5]deca-1,3-diene.
What is the SMILES notation for 8-propan-2-yl-8-azaspiro[4.5]deca-1,3-diene?
The canonical SMILES for 8-propan-2-yl-8-azaspiro[4.5]deca-1,3-diene is CC(C)N1CCC2(C=CC=C2)CC1.
What is the InChIKey of 8-propan-2-yl-8-azaspiro[4.5]deca-1,3-diene?
The InChIKey is YTHBIPSCINAOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-11(2)13-9-7-12(8-10-13)5-3-4-6-12/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 8-propan-2-yl-8-azaspiro[4.5]deca-1,3-diene?
8-propan-2-yl-8-azaspiro[4.5]deca-1,3-diene has a molecular weight of 177.29 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-8-azaspiro[4.5]deca-1,3-diene is sourced from PubChem (CID 162769943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).