N-hexyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

C15H29NO2 — CID 79120485

IUPACN-hexyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCCCCN(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C15H29NO2/c1-3-4-5-6-11-16(2)14-7-9-15(10-8-14)17-12-13-18-15/h14H,3-13H2,1-2H3
InChIKeyXSCKIIIIRUFTQJ-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.18
Rot. Bonds6

About N-hexyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

N-hexyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 79120485) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-hexyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-hexyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID79120485
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-hexyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCCCCN(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C15H29NO2/c1-3-4-5-6-11-16(2)14-7-9-15(10-8-14)17-12-13-18-15/h14H,3-13H2,1-2H3
InChIKeyXSCKIIIIRUFTQJ-UHFFFAOYSA-N
XLogP3.18
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-pentylcyclobutanamine
CID 142562644
1-(aminomethyl)-4-[methyl(pentyl)amino]cyclohexan-1-ol
CID 117039414
N-methyl-N-(2-methylpentyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 79120008
decane;1,4-dioxaspiro[4.5]decan-8-ylmethanol
CID 162007927
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylbutane-1-sulfonamide
CID 79119564
1-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]propan-2-ol
CID 79119752
4-[decyl(methyl)amino]cyclohexan-1-one
CID 79120098
3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]propane-1,2-diol
CID 82850549
N-(2-imidazol-1-ylethyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 79120650
N-methyl-N-nonylazetidin-3-amine
CID 66186670
N-heptyl-N-methylazetidin-3-amine
CID 66185882
N-(9-bromononyl)-N,4,4-trimethylcyclohexan-1-amine
CID 105343835

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-hexyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 79120485) is N-hexyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-hexyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-hexyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is CCCCCCN(C)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-hexyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is XSCKIIIIRUFTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-4-5-6-11-16(2)14-7-9-15(10-8-14)17-12-13-18-15/h14H,3-13H2,1-2H3.
What are the key properties of N-hexyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
N-hexyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 255.40 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 79120485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).