3-(butan-2-ylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one

C14H26N2O3 — CID 109013117

IUPAC3-(butan-2-ylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
SMILESCCC(C)NCCC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H26N2O3/c1-3-12(2)15-7-4-13(17)16-8-5-14(6-9-16)18-10-11-19-14/h12,15H,3-11H2,1-2H3
InChIKeyYPTPTLQYVVMDCQ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.13
Rot. Bonds5

About 3-(butan-2-ylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one

3-(butan-2-ylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one (PubChem CID 109013117) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-(butan-2-ylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one.

Molecular Properties

Compound Name3-(butan-2-ylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
PubChem CID109013117
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-(butan-2-ylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
SMILESCCC(C)NCCC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H26N2O3/c1-3-12(2)15-7-4-13(17)16-8-5-14(6-9-16)18-10-11-19-14/h12,15H,3-11H2,1-2H3
InChIKeyYPTPTLQYVVMDCQ-UHFFFAOYSA-N
XLogP1.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(butan-2-ylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one with MolForge

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Related Compounds

n-Isopropyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 34225220
N-butan-2-yl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 51077599
N-cyclopentyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide
CID 45808278
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methoxypropyl)acetamide
CID 52263114
(2R)-2-amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-one
CID 57797572
3-Amino-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one;yttrium
CID 58701790
3-(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-butylamine
CID 68775101
3-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)butanamide
CID 68775350
3-[(5-Amino-2,7-dimethyloctan-3-yl)amino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 162503123
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2,2,5,5-tetramethylhexan-3-ylamino)propan-1-one
CID 166897629
2-[2-(Diethylamino)ethylamino]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 3229642
N-cyclopentyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6465575

Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
The IUPAC name of 3-(butan-2-ylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one (CID 109013117) is 3-(butan-2-ylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one.
What is the SMILES notation for 3-(butan-2-ylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
The canonical SMILES for 3-(butan-2-ylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one is CCC(C)NCCC(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 3-(butan-2-ylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
The InChIKey is YPTPTLQYVVMDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-12(2)15-7-4-13(17)16-8-5-14(6-9-16)18-10-11-19-14/h12,15H,3-11H2,1-2H3.
What are the key properties of 3-(butan-2-ylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
3-(butan-2-ylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one has a molecular weight of 270.37 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one is sourced from PubChem (CID 109013117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).