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

C14H23NO2 — CID 102648460

IUPAC[1-(aminomethyl)cycloheptyl]-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESNCC1(C(=O)C2=CCCCO2)CCCCCC1
InChIInChI=1S/C14H23NO2/c15-11-14(8-4-1-2-5-9-14)13(16)12-7-3-6-10-17-12/h7H,1-6,8-11,15H2
InChIKeyKMZVQNOSMOTVNU-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.55
Rot. Bonds3

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

[1-(aminomethyl)cycloheptyl]-(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102648460) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is [1-(aminomethyl)cycloheptyl]-(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cycloheptyl]-(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102648460
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name[1-(aminomethyl)cycloheptyl]-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESNCC1(C(=O)C2=CCCCO2)CCCCCC1
InChIInChI=1S/C14H23NO2/c15-11-14(8-4-1-2-5-9-14)13(16)12-7-3-6-10-17-12/h7H,1-6,8-11,15H2
InChIKeyKMZVQNOSMOTVNU-UHFFFAOYSA-N
XLogP2.55
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cycloheptyl]-(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of [1-(aminomethyl)cycloheptyl]-(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102648460) is [1-(aminomethyl)cycloheptyl]-(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cycloheptyl]-(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cycloheptyl]-(3,4-dihydro-2H-pyran-6-yl)methanone is NCC1(C(=O)C2=CCCCO2)CCCCCC1.
What is the InChIKey of [1-(aminomethyl)cycloheptyl]-(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is KMZVQNOSMOTVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c15-11-14(8-4-1-2-5-9-14)13(16)12-7-3-6-10-17-12/h7H,1-6,8-11,15H2.
What are the key properties of [1-(aminomethyl)cycloheptyl]-(3,4-dihydro-2H-pyran-6-yl)methanone?
[1-(aminomethyl)cycloheptyl]-(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 237.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cycloheptyl]-(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 102648460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).