1-(1-aminocyclohexyl)-4-(oxolan-2-yl)butan-2-one

C14H25NO2 — CID 116579013

IUPAC1-(1-aminocyclohexyl)-4-(oxolan-2-yl)butan-2-one
SMILESNC1(CC(=O)CCC2CCCO2)CCCCC1
InChIInChI=1S/C14H25NO2/c15-14(8-2-1-3-9-14)11-12(16)6-7-13-5-4-10-17-13/h13H,1-11,15H2
InChIKeyPQPNLNJVJFAAAE-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.57
Rot. Bonds5

About 1-(1-aminocyclohexyl)-4-(oxolan-2-yl)butan-2-one

1-(1-aminocyclohexyl)-4-(oxolan-2-yl)butan-2-one (PubChem CID 116579013) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-4-(oxolan-2-yl)butan-2-one.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-4-(oxolan-2-yl)butan-2-one
PubChem CID116579013
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(1-aminocyclohexyl)-4-(oxolan-2-yl)butan-2-one
SMILESNC1(CC(=O)CCC2CCCO2)CCCCC1
InChIInChI=1S/C14H25NO2/c15-14(8-2-1-3-9-14)11-12(16)6-7-13-5-4-10-17-13/h13H,1-11,15H2
InChIKeyPQPNLNJVJFAAAE-UHFFFAOYSA-N
XLogP2.57
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-4-(oxolan-2-yl)butan-2-one
CID 114967671
1-(4-aminooxan-4-yl)-3-(oxolan-2-yl)propan-1-one
CID 58143477
oxan-2-ylmethyl 2-(1-aminocyclopentyl)acetate
CID 64700220
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-(oxolan-2-yl)propanamide
CID 103970098
1-(oxolan-2-yl)hept-6-en-3-one
CID 114974959
1-(methylamino)-5-(oxolan-2-yl)pentan-3-one
CID 116561140
1-(1-ethoxycycloheptyl)-3-(oxolan-2-yl)propan-1-one
CID 116750803
2-(1-aminocyclobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide
CID 79854728
1-(1-aminocyclohexyl)-3-cyclobutylpropan-2-one
CID 116578936
1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol
CID 65162275
5-(oxolan-2-yl)pentanamide
CID 67128385
1-(oxan-2-yl)hex-5-yn-3-one
CID 114962049

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-4-(oxolan-2-yl)butan-2-one?
The IUPAC name of 1-(1-aminocyclohexyl)-4-(oxolan-2-yl)butan-2-one (CID 116579013) is 1-(1-aminocyclohexyl)-4-(oxolan-2-yl)butan-2-one.
What is the SMILES notation for 1-(1-aminocyclohexyl)-4-(oxolan-2-yl)butan-2-one?
The canonical SMILES for 1-(1-aminocyclohexyl)-4-(oxolan-2-yl)butan-2-one is NC1(CC(=O)CCC2CCCO2)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)-4-(oxolan-2-yl)butan-2-one?
The InChIKey is PQPNLNJVJFAAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c15-14(8-2-1-3-9-14)11-12(16)6-7-13-5-4-10-17-13/h13H,1-11,15H2.
What are the key properties of 1-(1-aminocyclohexyl)-4-(oxolan-2-yl)butan-2-one?
1-(1-aminocyclohexyl)-4-(oxolan-2-yl)butan-2-one has a molecular weight of 239.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-4-(oxolan-2-yl)butan-2-one is sourced from PubChem (CID 116579013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).