2-amino-2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one

C14H23NO3 — CID 116558477

IUPAC2-amino-2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
SMILESCC(N)(C(=O)C1CCOC2(CCOC2)C1)C1CC1
InChIInChI=1S/C14H23NO3/c1-13(15,11-2-3-11)12(16)10-4-6-18-14(8-10)5-7-17-9-14/h10-11H,2-9,15H2,1H3
InChIKeyHWFGTEUAKNZDBS-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.27
Rot. Bonds3

About 2-amino-2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one

2-amino-2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one (PubChem CID 116558477) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
PubChem CID116558477
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-amino-2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
SMILESCC(N)(C(=O)C1CCOC2(CCOC2)C1)C1CC1
InChIInChI=1S/C14H23NO3/c1-13(15,11-2-3-11)12(16)10-4-6-18-14(8-10)5-7-17-9-14/h10-11H,2-9,15H2,1H3
InChIKeyHWFGTEUAKNZDBS-UHFFFAOYSA-N
XLogP1.27
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116560117
3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 116550718
2,6-dioxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115787850
2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one
CID 116548972
2-(aminomethyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylbutan-1-one
CID 116610863
2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone
CID 79920975
4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-2-one
CID 79923487
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one
CID 79913667
(1-aminocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 116550493
2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one
CID 79913238
2,6-dioxaspiro[4.5]decan-9-yl-(1-hydroxycyclopentyl)methanone
CID 103447799
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2-methylpropanoic acid
CID 79893907

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one?
The IUPAC name of 2-amino-2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one (CID 116558477) is 2-amino-2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one.
What is the SMILES notation for 2-amino-2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one?
The canonical SMILES for 2-amino-2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one is CC(N)(C(=O)C1CCOC2(CCOC2)C1)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one?
The InChIKey is HWFGTEUAKNZDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-13(15,11-2-3-11)12(16)10-4-6-18-14(8-10)5-7-17-9-14/h10-11H,2-9,15H2,1H3.
What are the key properties of 2-amino-2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one?
2-amino-2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one has a molecular weight of 253.34 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one is sourced from PubChem (CID 116558477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).