[1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone

C16H24N2O2 — CID 116602231

IUPAC[1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone
SMILESCCOc1cncc(C(=O)C2(CN)CCCCCC2)c1
InChIInChI=1S/C16H24N2O2/c1-2-20-14-9-13(10-18-11-14)15(19)16(12-17)7-5-3-4-6-8-16/h9-11H,2-8,12,17H2,1H3
InChIKeyYLMKOQDELCCMJF-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.96
Rot. Bonds5

About [1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone

[1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone (PubChem CID 116602231) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone
PubChem CID116602231
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone
SMILESCCOc1cncc(C(=O)C2(CN)CCCCCC2)c1
InChIInChI=1S/C16H24N2O2/c1-2-20-14-9-13(10-18-11-14)15(19)16(12-17)7-5-3-4-6-8-16/h9-11H,2-8,12,17H2,1H3
InChIKeyYLMKOQDELCCMJF-UHFFFAOYSA-N
XLogP2.96
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-ethoxy-3-pyridinyl)-(4-ethylpiperidin-4-yl)methanone
CID 116568171
[1-(aminomethyl)cycloheptyl]-(3,5-dimethoxyphenyl)methanone
CID 116602135
[1-(aminomethyl)cyclopropyl]-(3-ethoxyphenyl)methanone
CID 116601381
(2-amino-1-methylcyclopentyl)-(5-ethoxy-3-pyridinyl)methanone
CID 116607379
[1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone
CID 116600946
(4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone
CID 116748926
(5-ethoxy-3-pyridinyl)-(1-hydroxy-4-methylcyclohexyl)methanone
CID 103450649
(5-ethoxy-3-pyridinyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone
CID 116750301
(1-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone
CID 116747881
(1-aminocyclopropyl)-(5-methoxy-3-pyridinyl)methanone
CID 116576579
[4-(aminomethyl)phenyl]-(5-ethoxy-3-pyridinyl)methanone
CID 116548333
1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566547

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone?
The IUPAC name of [1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone (CID 116602231) is [1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone.
What is the SMILES notation for [1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone?
The canonical SMILES for [1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone is CCOc1cncc(C(=O)C2(CN)CCCCCC2)c1.
What is the InChIKey of [1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone?
The InChIKey is YLMKOQDELCCMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-20-14-9-13(10-18-11-14)15(19)16(12-17)7-5-3-4-6-8-16/h9-11H,2-8,12,17H2,1H3.
What are the key properties of [1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone?
[1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone has a molecular weight of 276.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone is sourced from PubChem (CID 116602231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).