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

C16H28N2O2 — CID 114409604

IUPAC[1-(aminomethyl)cycloheptyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOCC1=CCN(C(=O)C2(CN)CCCCCC2)CC1
InChIInChI=1S/C16H28N2O2/c1-20-12-14-6-10-18(11-7-14)15(19)16(13-17)8-4-2-3-5-9-16/h6H,2-5,7-13,17H2,1H3
InChIKeyQVGJWJQEYNEZCW-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.09
Rot. Bonds4

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

[1-(aminomethyl)cycloheptyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 114409604) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is [1-(aminomethyl)cycloheptyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cycloheptyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID114409604
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name[1-(aminomethyl)cycloheptyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOCC1=CCN(C(=O)C2(CN)CCCCCC2)CC1
InChIInChI=1S/C16H28N2O2/c1-20-12-14-6-10-18(11-7-14)15(19)16(13-17)8-4-2-3-5-9-16/h6H,2-5,7-13,17H2,1H3
InChIKeyQVGJWJQEYNEZCW-UHFFFAOYSA-N
XLogP2.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [1-(aminomethyl)cycloheptyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-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

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cycloheptyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [1-(aminomethyl)cycloheptyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 114409604) is [1-(aminomethyl)cycloheptyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [1-(aminomethyl)cycloheptyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [1-(aminomethyl)cycloheptyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is COCC1=CCN(C(=O)C2(CN)CCCCCC2)CC1.
What is the InChIKey of [1-(aminomethyl)cycloheptyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is QVGJWJQEYNEZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-20-12-14-6-10-18(11-7-14)15(19)16(13-17)8-4-2-3-5-9-16/h6H,2-5,7-13,17H2,1H3.
What are the key properties of [1-(aminomethyl)cycloheptyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[1-(aminomethyl)cycloheptyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 280.41 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cycloheptyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 114409604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).