2-(aminomethyl)cycloheptan-1-one

C8H15NO — CID 84731152

IUPAC2-(aminomethyl)cycloheptan-1-one
SMILESNCC1CCCCCC1=O
InChIInChI=1S/C8H15NO/c9-6-7-4-2-1-3-5-8(7)10/h7H,1-6,9H2
InChIKeyCHMRWUKJKMRLQF-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.09
Rot. Bonds1

About 2-(aminomethyl)cycloheptan-1-one

2-(aminomethyl)cycloheptan-1-one (PubChem CID 84731152) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-(aminomethyl)cycloheptan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)cycloheptan-1-one
PubChem CID84731152
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-(aminomethyl)cycloheptan-1-one
SMILESNCC1CCCCCC1=O
InChIInChI=1S/C8H15NO/c9-6-7-4-2-1-3-5-8(7)10/h7H,1-6,9H2
InChIKeyCHMRWUKJKMRLQF-UHFFFAOYSA-N
XLogP1.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)cycloheptan-1-one?
The IUPAC name of 2-(aminomethyl)cycloheptan-1-one (CID 84731152) is 2-(aminomethyl)cycloheptan-1-one.
What is the SMILES notation for 2-(aminomethyl)cycloheptan-1-one?
The canonical SMILES for 2-(aminomethyl)cycloheptan-1-one is NCC1CCCCCC1=O.
What is the InChIKey of 2-(aminomethyl)cycloheptan-1-one?
The InChIKey is CHMRWUKJKMRLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c9-6-7-4-2-1-3-5-8(7)10/h7H,1-6,9H2.
What are the key properties of 2-(aminomethyl)cycloheptan-1-one?
2-(aminomethyl)cycloheptan-1-one has a molecular weight of 141.21 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)cycloheptan-1-one is sourced from PubChem (CID 84731152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).