(1-aminocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone

C15H25NO3 — CID 116550493

IUPAC(1-aminocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
SMILESNC1(C(=O)C2CCOC3(CCOC3)C2)CCCCC1
InChIInChI=1S/C15H25NO3/c16-15(5-2-1-3-6-15)13(17)12-4-8-19-14(10-12)7-9-18-11-14/h12H,1-11,16H2
InChIKeyMRQCJOOSODTIJC-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.80
Rot. Bonds2

About (1-aminocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone

(1-aminocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone (PubChem CID 116550493) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (1-aminocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
PubChem CID116550493
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(1-aminocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
SMILESNC1(C(=O)C2CCOC3(CCOC3)C2)CCCCC1
InChIInChI=1S/C15H25NO3/c16-15(5-2-1-3-6-15)13(17)12-4-8-19-14(10-12)7-9-18-11-14/h12H,1-11,16H2
InChIKeyMRQCJOOSODTIJC-UHFFFAOYSA-N
XLogP1.80
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-aminocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone 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-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 116598404
(1-aminocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116558699
2,6-dioxaspiro[4.5]decan-9-yl-(1-hydroxycyclopentyl)methanone
CID 103447799
3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 116550718
(1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 116576726
2,6-dioxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115787850
[1-(dimethylamino)cyclopentyl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 79909690
2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one
CID 116548972
(1-aminocycloheptyl)-cyclopropylmethanone
CID 82408131
2,6-dioxaspiro[4.5]decane-9-carboximidamide
CID 79906061
2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone
CID 79920975
2-amino-2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 116558477

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (1-aminocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone (CID 116550493) is (1-aminocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (1-aminocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (1-aminocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone is NC1(C(=O)C2CCOC3(CCOC3)C2)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone?
The InChIKey is MRQCJOOSODTIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c16-15(5-2-1-3-6-15)13(17)12-4-8-19-14(10-12)7-9-18-11-14/h12H,1-11,16H2.
What are the key properties of (1-aminocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone?
(1-aminocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone has a molecular weight of 267.37 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 116550493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).