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

C12H19NO2 — CID 102648345

IUPAC(3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESNC1CCCC(C(=O)C2=CCCCO2)C1
InChIInChI=1S/C12H19NO2/c13-10-5-3-4-9(8-10)12(14)11-6-1-2-7-15-11/h6,9-10H,1-5,7-8,13H2
InChIKeyRPFVSWYHZPDUTQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.77
Rot. Bonds2

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

(3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102648345) 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-6-yl)methanone.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102648345
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESNC1CCCC(C(=O)C2=CCCCO2)C1
InChIInChI=1S/C12H19NO2/c13-10-5-3-4-9(8-10)12(14)11-6-1-2-7-15-11/h6,9-10H,1-5,7-8,13H2
InChIKeyRPFVSWYHZPDUTQ-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

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Related Compounds

CID 102648278
CID 102648278
CID 102648302
CID 102648302
CID 102648364
CID 102648364
CID 102648373
CID 102648373
CID 102648378
CID 102648378
CID 102648380
CID 102648380
CID 102648383
CID 102648383
CID 102648389
CID 102648389
CID 102648394
CID 102648394
CID 102648399
CID 102648399
CID 102648400
CID 102648400
CID 102648409
CID 102648409

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of (3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102648345) is (3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for (3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for (3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is NC1CCCC(C(=O)C2=CCCCO2)C1.
What is the InChIKey of (3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is RPFVSWYHZPDUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c13-10-5-3-4-9(8-10)12(14)11-6-1-2-7-15-11/h6,9-10H,1-5,7-8,13H2.
What are the key properties of (3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
(3-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 (3-aminocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 102648345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).