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

C13H23NO2 — CID 116557342

IUPAC1-(4-aminocyclohexyl)-3-(oxolan-2-yl)propan-1-one
SMILESNC1CCC(C(=O)CCC2CCCO2)CC1
InChIInChI=1S/C13H23NO2/c14-11-5-3-10(4-6-11)13(15)8-7-12-2-1-9-16-12/h10-12H,1-9,14H2
InChIKeyZLIXUMUJBGMEEN-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.03
Rot. Bonds4

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

1-(4-aminocyclohexyl)-3-(oxolan-2-yl)propan-1-one (PubChem CID 116557342) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-3-(oxolan-2-yl)propan-1-one
PubChem CID116557342
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(4-aminocyclohexyl)-3-(oxolan-2-yl)propan-1-one
SMILESNC1CCC(C(=O)CCC2CCCO2)CC1
InChIInChI=1S/C13H23NO2/c14-11-5-3-10(4-6-11)13(15)8-7-12-2-1-9-16-12/h10-12H,1-9,14H2
InChIKeyZLIXUMUJBGMEEN-UHFFFAOYSA-N
XLogP2.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-(oxan-2-yl)propan-1-one
CID 79416719
1-[4-(aminomethyl)cyclohexyl]-4-(oxolan-2-yl)butan-1-one
CID 116592511
4-(oxolan-2-yl)-1-(4-propylcyclohexyl)butan-1-one
CID 65425226
1-cyclohexyl-4-(oxolan-2-yl)butan-2-one
CID 114967671
3-amino-N-[2-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide
CID 66008154
5-(oxolan-2-yl)pentanamide
CID 67128385
cis-oxolan-2-ylmethyl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323805
3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride
CID 162327782
4-(oxolan-2-yl)-1-piperidin-3-ylbutan-2-one
CID 116564211
1-(3-methyl-1,4-dithian-2-yl)-3-(oxolan-2-yl)propan-1-one
CID 115385790
1-(2-methylpyrrolidin-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 116592114
2-methyl-5-(oxolan-2-yl)pent-1-en-3-one
CID 115780995

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-(4-aminocyclohexyl)-3-(oxolan-2-yl)propan-1-one (CID 116557342) is 1-(4-aminocyclohexyl)-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-aminocyclohexyl)-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(4-aminocyclohexyl)-3-(oxolan-2-yl)propan-1-one is NC1CCC(C(=O)CCC2CCCO2)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-3-(oxolan-2-yl)propan-1-one?
The InChIKey is ZLIXUMUJBGMEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c14-11-5-3-10(4-6-11)13(15)8-7-12-2-1-9-16-12/h10-12H,1-9,14H2.
What are the key properties of 1-(4-aminocyclohexyl)-3-(oxolan-2-yl)propan-1-one?
1-(4-aminocyclohexyl)-3-(oxolan-2-yl)propan-1-one has a molecular weight of 225.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 116557342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).