[1-(dimethylamino)cyclopentyl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone

C17H29NO3 — CID 79909690

IUPAC[1-(dimethylamino)cyclopentyl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
SMILESCN(C)C1(C(=O)C2CCOC3(CCOCC3)C2)CCCC1
InChIInChI=1S/C17H29NO3/c1-18(2)17(6-3-4-7-17)15(19)14-5-10-21-16(13-14)8-11-20-12-9-16/h14H,3-13H2,1-2H3
InChIKeyNOKXFGIJRXTKOQ-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.41
Rot. Bonds3

About [1-(dimethylamino)cyclopentyl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone

[1-(dimethylamino)cyclopentyl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone (PubChem CID 79909690) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is [1-(dimethylamino)cyclopentyl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name[1-(dimethylamino)cyclopentyl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
PubChem CID79909690
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name[1-(dimethylamino)cyclopentyl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
SMILESCN(C)C1(C(=O)C2CCOC3(CCOCC3)C2)CCCC1
InChIInChI=1S/C17H29NO3/c1-18(2)17(6-3-4-7-17)15(19)14-5-10-21-16(13-14)8-11-20-12-9-16/h14H,3-13H2,1-2H3
InChIKeyNOKXFGIJRXTKOQ-UHFFFAOYSA-N
XLogP2.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(dimethylamino)cyclopentyl]-(oxan-4-yl)methanone
CID 79067927
2,6-dioxaspiro[4.5]decan-9-yl-(1-hydroxycyclopentyl)methanone
CID 103447799
(1-aminocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 116550493
cyclopentyl-[1-(dimethylamino)cycloheptyl]methanone
CID 79074263
[1-(dimethylamino)-4-methylcyclohexyl]-(oxan-4-yl)methanone
CID 79066312
[1-(dimethylamino)-3-methylcyclohexyl]-(oxolan-3-yl)methanone
CID 79074600
(1-ethoxycyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116747845
(1-aminocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116558699
(1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 116598404
(1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 116747768
(1-ethoxycyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116748384
(2,6-dimethyl-4-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 107502445

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cyclopentyl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of [1-(dimethylamino)cyclopentyl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone (CID 79909690) is [1-(dimethylamino)cyclopentyl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for [1-(dimethylamino)cyclopentyl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for [1-(dimethylamino)cyclopentyl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone is CN(C)C1(C(=O)C2CCOC3(CCOCC3)C2)CCCC1.
What is the InChIKey of [1-(dimethylamino)cyclopentyl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is NOKXFGIJRXTKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-18(2)17(6-3-4-7-17)15(19)14-5-10-21-16(13-14)8-11-20-12-9-16/h14H,3-13H2,1-2H3.
What are the key properties of [1-(dimethylamino)cyclopentyl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone?
[1-(dimethylamino)cyclopentyl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 295.42 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cyclopentyl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 79909690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).