[1-(aminomethyl)cyclohexyl]-(3,4-dihydro-2H-pyran-6-yl)methanone

C13H21NO2 — CID 102648455

IUPAC[1-(aminomethyl)cyclohexyl]-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESNCC1(C(=O)C2=CCCCO2)CCCCC1
InChIInChI=1S/C13H21NO2/c14-10-13(7-3-1-4-8-13)12(15)11-6-2-5-9-16-11/h6H,1-5,7-10,14H2
InChIKeyVXJQQKMROAWRHI-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.16
Rot. Bonds3

About [1-(aminomethyl)cyclohexyl]-(3,4-dihydro-2H-pyran-6-yl)methanone

[1-(aminomethyl)cyclohexyl]-(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102648455) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]-(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]-(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102648455
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name[1-(aminomethyl)cyclohexyl]-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESNCC1(C(=O)C2=CCCCO2)CCCCC1
InChIInChI=1S/C13H21NO2/c14-10-13(7-3-1-4-8-13)12(15)11-6-2-5-9-16-11/h6H,1-5,7-10,14H2
InChIKeyVXJQQKMROAWRHI-UHFFFAOYSA-N
XLogP2.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]-(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclohexyl]-(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102648455) is [1-(aminomethyl)cyclohexyl]-(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]-(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]-(3,4-dihydro-2H-pyran-6-yl)methanone is NCC1(C(=O)C2=CCCCO2)CCCCC1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]-(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is VXJQQKMROAWRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c14-10-13(7-3-1-4-8-13)12(15)11-6-2-5-9-16-11/h6H,1-5,7-10,14H2.
What are the key properties of [1-(aminomethyl)cyclohexyl]-(3,4-dihydro-2H-pyran-6-yl)methanone?
[1-(aminomethyl)cyclohexyl]-(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 223.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]-(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 102648455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).