(2-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone

C12H19NO2 — CID 102648383

IUPAC(2-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESNC1CCCCC1C(=O)C1=CCCCO1
InChIInChI=1S/C12H19NO2/c13-10-6-2-1-5-9(10)12(14)11-7-3-4-8-15-11/h7,9-10H,1-6,8,13H2
InChIKeyKHUFASZHAWMTKE-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.77
Rot. Bonds2

About (2-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone

(2-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102648383) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (2-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Name(2-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102648383
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(2-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESNC1CCCCC1C(=O)C1=CCCCO1
InChIInChI=1S/C12H19NO2/c13-10-6-2-1-5-9(10)12(14)11-7-3-4-8-15-11/h7,9-10H,1-6,8,13H2
InChIKeyKHUFASZHAWMTKE-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 (2-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-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

(1-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648278
(4-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648302
(3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648345
6-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylheptan-1-one
CID 102648364
2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
CID 102648365
1-(3,4-dihydro-2H-pyran-6-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 102648368
6-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-ethylhexan-1-one
CID 102648378
2-(1-aminocyclopentyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648379
2-(1-aminocyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648380
(2-aminocyclopentyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648384
6-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylhexan-1-one
CID 102648389
4-(2-aminoethyl)-1-(3,4-dihydro-2H-pyran-6-yl)heptan-1-one
CID 102648394

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of (2-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102648383) is (2-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for (2-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for (2-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is NC1CCCCC1C(=O)C1=CCCCO1.
What is the InChIKey of (2-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is KHUFASZHAWMTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c13-10-6-2-1-5-9(10)12(14)11-7-3-4-8-15-11/h7,9-10H,1-6,8,13H2.
What are the key properties of (2-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
(2-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-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 (2-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 102648383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).