1-(4-aminooxan-4-yl)-3-(oxolan-2-yl)propan-1-one

C12H21NO3 — CID 58143477

IUPAC1-(4-aminooxan-4-yl)-3-(oxolan-2-yl)propan-1-one
SMILESNC1(C(=O)CCC2CCCO2)CCOCC1
InChIInChI=1S/C12H21NO3/c13-12(5-8-15-9-6-12)11(14)4-3-10-2-1-7-16-10/h10H,1-9,13H2
InChIKeyNDOBJVNLSHNTDT-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.02
Rot. Bonds4

About 1-(4-aminooxan-4-yl)-3-(oxolan-2-yl)propan-1-one

1-(4-aminooxan-4-yl)-3-(oxolan-2-yl)propan-1-one (PubChem CID 58143477) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-(4-aminooxan-4-yl)-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-aminooxan-4-yl)-3-(oxolan-2-yl)propan-1-one
PubChem CID58143477
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-(4-aminooxan-4-yl)-3-(oxolan-2-yl)propan-1-one
SMILESNC1(C(=O)CCC2CCCO2)CCOCC1
InChIInChI=1S/C12H21NO3/c13-12(5-8-15-9-6-12)11(14)4-3-10-2-1-7-16-10/h10H,1-9,13H2
InChIKeyNDOBJVNLSHNTDT-UHFFFAOYSA-N
XLogP1.02
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)oxan-4-yl]-3-(oxolan-2-yl)propanamide
CID 106297142
4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide
CID 115294696
1-(1-aminocyclohexyl)-4-(oxolan-2-yl)butan-2-one
CID 116579013
1-(1-ethoxycycloheptyl)-3-(oxolan-2-yl)propan-1-one
CID 116750803
2-methyl-5-(oxolan-2-yl)pent-1-en-3-one
CID 115780995
5-(oxolan-2-yl)pentanamide
CID 67128385
1-[1-(dimethylamino)-3-methylcyclohexyl]-3-(oxolan-2-yl)propan-1-one
CID 79074672
4-[3-(oxolan-2-yl)propyl]oxan-4-ol
CID 65162115
3-[(2S)-oxolan-2-yl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
CID 95619752
3-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)propan-1-one
CID 106982059
1-amino-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60867408
1-(3-hydroxyazetidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 63106049

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminooxan-4-yl)-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-(4-aminooxan-4-yl)-3-(oxolan-2-yl)propan-1-one (CID 58143477) is 1-(4-aminooxan-4-yl)-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-aminooxan-4-yl)-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(4-aminooxan-4-yl)-3-(oxolan-2-yl)propan-1-one is NC1(C(=O)CCC2CCCO2)CCOCC1.
What is the InChIKey of 1-(4-aminooxan-4-yl)-3-(oxolan-2-yl)propan-1-one?
The InChIKey is NDOBJVNLSHNTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c13-12(5-8-15-9-6-12)11(14)4-3-10-2-1-7-16-10/h10H,1-9,13H2.
What are the key properties of 1-(4-aminooxan-4-yl)-3-(oxolan-2-yl)propan-1-one?
1-(4-aminooxan-4-yl)-3-(oxolan-2-yl)propan-1-one has a molecular weight of 227.30 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminooxan-4-yl)-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 58143477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).