N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylazepan-4-amine

C15H28N2O2 — CID 107171962

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylazepan-4-amine
SMILESCN(C1CCCNCC1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C15H28N2O2/c1-17(13-3-2-9-16-10-6-13)14-4-7-15(8-5-14)18-11-12-19-15/h13-14,16H,2-12H2,1H3
InChIKeyYXLABTWGFXXYJS-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.75
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylazepan-4-amine

N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylazepan-4-amine (PubChem CID 107171962) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylazepan-4-amine.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylazepan-4-amine
PubChem CID107171962
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylazepan-4-amine
SMILESCN(C1CCCNCC1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C15H28N2O2/c1-17(13-3-2-9-16-10-6-13)14-4-7-15(8-5-14)18-11-12-19-15/h13-14,16H,2-12H2,1H3
InChIKeyYXLABTWGFXXYJS-UHFFFAOYSA-N
XLogP1.75
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-ethylpiperidin-3-amine
CID 63642751
N-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-amine
CID 107173436
N-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine
CID 79899995
N-methyl-N-(3-methylcyclobutyl)azepan-4-amine
CID 107172184
3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]azepan-2-one
CID 79120079
N-(4,4-difluorocyclohexyl)-N-methylpiperidin-4-amine;dihydrochloride
CID 162340561
N-(1,1-dioxothian-4-yl)-N-methylazepan-4-amine
CID 107172212
N-cyclopropyl-N-methylpiperidin-4-amine;dihydrochloride
CID 53408558
N-methyl-N-(3-propan-2-ylcyclobutyl)azepan-4-amine
CID 107172008
N-(3-ethylcyclohexyl)-N-methylazepan-4-amine
CID 107172001
N-(azepan-4-yl)-N,2-dimethyloxolane-2-carboxamide
CID 107172424
N-methyl-N-[3-(trifluoromethyl)cyclohexyl]azepan-4-amine
CID 107171989

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylazepan-4-amine?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylazepan-4-amine (CID 107171962) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylazepan-4-amine.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylazepan-4-amine?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylazepan-4-amine is CN(C1CCCNCC1)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylazepan-4-amine?
The InChIKey is YXLABTWGFXXYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-17(13-3-2-9-16-10-6-13)14-4-7-15(8-5-14)18-11-12-19-15/h13-14,16H,2-12H2,1H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylazepan-4-amine?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylazepan-4-amine has a molecular weight of 268.40 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylazepan-4-amine is sourced from PubChem (CID 107171962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).