(3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanone

C12H19NO2 — CID 116569003

IUPAC(3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
SMILESNC1CCCC(C(=O)C2=COCCC2)C1
InChIInChI=1S/C12H19NO2/c13-11-5-1-3-9(7-11)12(14)10-4-2-6-15-8-10/h8-9,11H,1-7,13H2
InChIKeyUMSGCSLXVATFSE-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.77
Rot. Bonds2

About (3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanone

(3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanone (PubChem CID 116569003) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanone.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
PubChem CID116569003
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
SMILESNC1CCCC(C(=O)C2=COCCC2)C1
InChIInChI=1S/C12H19NO2/c13-11-5-1-3-9(7-11)12(14)10-4-2-6-15-8-10/h8-9,11H,1-7,13H2
InChIKeyUMSGCSLXVATFSE-UHFFFAOYSA-N
XLogP1.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-aminocyclopentyl)-(2,3-dihydrofuran-4-yl)methanone
CID 130579695
1-[(1S,3S)-3-aminocyclohexyl]ethanone
CID 98010319
(3-aminocyclohexyl)-(2,6-difluorophenyl)methanone
CID 116568844
(3S)-3-aminocyclohexane-1-carboxylic acid
CID 67383005
1-(3-aminocyclohexyl)-3-methylbut-2-en-1-one
CID 67326135
1-[(1S,3R)-3-aminocyclohexyl]-3-methylbut-2-en-1-one
CID 59174733
3,4-dihydro-2H-pyran-5-yl(morpholin-2-yl)methanone
CID 116561803
(3-aminocyclohexyl)-(3,4-dimethylphenyl)methanone
CID 116568873
3-amino-N-cyclopropylcyclohexane-1-carboxamide
CID 18071393
(3-aminocyclohexyl)-morpholin-4-ylmethanone
CID 62775770
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
(3-aminocyclohexyl)-(5-bromo-2-fluorophenyl)methanone
CID 116568928

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanone?
The IUPAC name of (3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanone (CID 116569003) is (3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanone.
What is the SMILES notation for (3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanone?
The canonical SMILES for (3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanone is NC1CCCC(C(=O)C2=COCCC2)C1.
What is the InChIKey of (3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanone?
The InChIKey is UMSGCSLXVATFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c13-11-5-1-3-9(7-11)12(14)10-4-2-6-15-8-10/h8-9,11H,1-7,13H2.
What are the key properties of (3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanone?
(3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanone has a molecular weight of 209.29 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanone is sourced from PubChem (CID 116569003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).