N-(2,2-dimethylbutyl)-1,4-dioxaspiro[4.5]decan-8-amine

C14H27NO2 — CID 103460691

IUPACN-(2,2-dimethylbutyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCC(C)(C)CNC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H27NO2/c1-4-13(2,3)11-15-12-5-7-14(8-6-12)16-9-10-17-14/h12,15H,4-11H2,1-3H3
InChIKeyGVWDLGPEEQBVMG-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.70
Rot. Bonds4

About N-(2,2-dimethylbutyl)-1,4-dioxaspiro[4.5]decan-8-amine

N-(2,2-dimethylbutyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 103460691) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID103460691
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-(2,2-dimethylbutyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCC(C)(C)CNC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H27NO2/c1-4-13(2,3)11-15-12-5-7-14(8-6-12)16-9-10-17-14/h12,15H,4-11H2,1-3H3
InChIKeyGVWDLGPEEQBVMG-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,2-dimethylbutyl)-1,4-dioxaspiro[4.5]decan-8-amine 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

1-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-methylpropan-2-ol
CID 63239594
N-(2-ethyl-2-methylsulfanylbutyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 104801490
1-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,4-dimethylpentan-2-ol
CID 66178779
N-(cyclopentylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43370815
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-dimethylbutanamide
CID 78918296
N-(2,2-dimethylbutyl)piperidin-4-amine
CID 103460712
N-[(1-propan-2-ylcyclopropyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 113454913
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluorobutanamide
CID 164651542
N-pent-3-ynyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 116643059
N-(oxan-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 63727494
N-(2,2-dimethylbutyl)-4-ethylcycloheptan-1-amine
CID 103460646
N-(1,4-dioxaspiro[4.5]decan-8-yl)ethanesulfonamide
CID 47372558

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-(2,2-dimethylbutyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 103460691) is N-(2,2-dimethylbutyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-(2,2-dimethylbutyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-(2,2-dimethylbutyl)-1,4-dioxaspiro[4.5]decan-8-amine is CCC(C)(C)CNC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(2,2-dimethylbutyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is GVWDLGPEEQBVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-13(2,3)11-15-12-5-7-14(8-6-12)16-9-10-17-14/h12,15H,4-11H2,1-3H3.
What are the key properties of N-(2,2-dimethylbutyl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-(2,2-dimethylbutyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 241.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 103460691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).