1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine

C14H25NO2 — CID 79911605

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine
SMILESCNC(C1CCOC2(CCOC2)C1)C1CC1C
InChIInChI=1S/C14H25NO2/c1-10-7-12(10)13(15-2)11-3-5-17-14(8-11)4-6-16-9-14/h10-13,15H,3-9H2,1-2H3
InChIKeyIVMPMNZYAUBLJO-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.82
Rot. Bonds3

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine (PubChem CID 79911605) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine
PubChem CID79911605
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine
SMILESCNC(C1CCOC2(CCOC2)C1)C1CC1C
InChIInChI=1S/C14H25NO2/c1-10-7-12(10)13(15-2)11-3-5-17-14(8-11)4-6-16-9-14/h10-13,15H,3-9H2,1-2H3
InChIKeyIVMPMNZYAUBLJO-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dioxan-2-yl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 115824800
1-(2,2-dimethylcyclohexyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 107190198
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,2,2-trimethylpropan-1-amine
CID 79914724
1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine
CID 105017135
[2,6-dioxaspiro[4.5]decan-9-yl(oxan-4-yl)methyl]hydrazine
CID 105229794
N-methyl-1-(2-methylcyclopropyl)-1-(oxan-4-yl)methanamine
CID 65421926
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 79911771
N-[2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107190201
N-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclopentyl)methyl]ethanamine
CID 79911261
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpentan-1-amine
CID 79911806
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylbut-3-en-1-amine
CID 116660522
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(thian-2-yl)methanamine
CID 80627564

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine (CID 79911605) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine is CNC(C1CCOC2(CCOC2)C1)C1CC1C.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine?
The InChIKey is IVMPMNZYAUBLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10-7-12(10)13(15-2)11-3-5-17-14(8-11)4-6-16-9-14/h10-13,15H,3-9H2,1-2H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine has a molecular weight of 239.36 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 79911605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).