3,3-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazaspiro[5.5]undecane

C16H30N2 — CID 107901521

IUPAC3,3-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazaspiro[5.5]undecane
SMILESCC(C)=CCN1CC(C)(C)NCC12CCCCC2
InChIInChI=1S/C16H30N2/c1-14(2)8-11-18-13-15(3,4)17-12-16(18)9-6-5-7-10-16/h8,17H,5-7,9-13H2,1-4H3
InChIKeyPPGBPEFEGRPVNZ-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.34
Rot. Bonds2

About 3,3-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazaspiro[5.5]undecane

3,3-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 107901521) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 3,3-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3,3-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazaspiro[5.5]undecane
PubChem CID107901521
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name3,3-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazaspiro[5.5]undecane
SMILESCC(C)=CCN1CC(C)(C)NCC12CCCCC2
InChIInChI=1S/C16H30N2/c1-14(2)8-11-18-13-15(3,4)17-12-16(18)9-6-5-7-10-16/h8,17H,5-7,9-13H2,1-4H3
InChIKeyPPGBPEFEGRPVNZ-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-cyclopropyl-8-methyl-6-(3-methylbut-2-enyl)-6,9-diazaspiro[4.5]decane
CID 107901791
6-(3-chloro-2-methylprop-2-enyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane
CID 106440389
8,8-dimethyl-6-propyl-6,9-diazaspiro[4.5]decane
CID 64840920
8,8-dimethyl-6-(3-methylbutyl)-6,9-diazaspiro[4.5]decane
CID 64842470
6-(2-ethylbutyl)-8,8-dimethyl-6,9-diazaspiro[4.5]decane
CID 82923848
3,3-dimethyl-1-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane
CID 83168130
3,3-dimethyl-1-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane
CID 106458595
3,3-dimethyl-1-(2-propan-2-yloxyethyl)-1,4-diazaspiro[5.5]undecane
CID 64841115
3,3-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 107055594
3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-1,4-diazaspiro[5.5]undecane
CID 106458594
3,3-dimethyl-1-(2-propan-2-ylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 106732966
5-[(3,3-dimethyl-1,4-diazaspiro[5.5]undecan-1-yl)methyl]-1,3-thiazole
CID 112644875

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3,3-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazaspiro[5.5]undecane (CID 107901521) is 3,3-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3,3-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3,3-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazaspiro[5.5]undecane is CC(C)=CCN1CC(C)(C)NCC12CCCCC2.
What is the InChIKey of 3,3-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is PPGBPEFEGRPVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-14(2)8-11-18-13-15(3,4)17-12-16(18)9-6-5-7-10-16/h8,17H,5-7,9-13H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazaspiro[5.5]undecane?
3,3-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 250.43 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(3-methylbut-2-enyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 107901521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).