2-chloro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene

C18H32ClN — CID 176829910

IUPAC2-chloro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
SMILESCC(C)C1=C(C(C)C)C2(CCN(C(C)C)CC2)CC1Cl
InChIInChI=1S/C18H32ClN/c1-12(2)16-15(19)11-18(17(16)13(3)4)7-9-20(10-8-18)14(5)6/h12-15H,7-11H2,1-6H3
InChIKeyZIBOZRJAHHFDQC-UHFFFAOYSA-N
MW297.91 g/mol
LogP5.10
Rot. Bonds3

About 2-chloro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene

2-chloro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene (PubChem CID 176829910) has the molecular formula C18H32ClN and a molecular weight of 297.91 g/mol. Its IUPAC name is 2-chloro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name2-chloro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
PubChem CID176829910
Molecular FormulaC18H32ClN
Molecular Weight297.91 g/mol
Exact Mass297.22
IUPAC Name2-chloro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
SMILESCC(C)C1=C(C(C)C)C2(CCN(C(C)C)CC2)CC1Cl
InChIInChI=1S/C18H32ClN/c1-12(2)16-15(19)11-18(17(16)13(3)4)7-9-20(10-8-18)14(5)6/h12-15H,7-11H2,1-6H3
InChIKeyZIBOZRJAHHFDQC-UHFFFAOYSA-N
XLogP5.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.91
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-methyl-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene
CID 176830116
2-ethyl-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 176830058
N-methyl-1-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methanamine
CID 170211191
4-iodo-1-propan-2-ylpiperidin-4-amine
CID 155455763
2,3,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-2-ene
CID 176829653
(5S,6S)-6-fluoro-2-methyl-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 176829539
2,8-di(propan-2-yl)-8-azaspiro[3.6]decane
CID 170522762
3-propan-2-yl-9-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155702525
7-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-7-azaspiro[3.5]nonane
CID 166030716
(4R,5S)-4,5-dimethyl-1-propan-2-ylazepan-4-ol
CID 174154195
(2R)-2-methyl-7-propan-2-yl-7-azaspiro[2.6]nonane
CID 118287814
(4-methyl-1-propan-2-ylpiperidin-4-yl)phosphane
CID 175635218

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of 2-chloro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene (CID 176829910) is 2-chloro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 2-chloro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 2-chloro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene is CC(C)C1=C(C(C)C)C2(CCN(C(C)C)CC2)CC1Cl.
What is the InChIKey of 2-chloro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene?
The InChIKey is ZIBOZRJAHHFDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32ClN/c1-12(2)16-15(19)11-18(17(16)13(3)4)7-9-20(10-8-18)14(5)6/h12-15H,7-11H2,1-6H3.
What are the key properties of 2-chloro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene?
2-chloro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene has a molecular weight of 297.91 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 176829910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).