2-[(dimethylamino)methyl]-6-methylcycloheptan-1-one

C11H21NO — CID 20708755

IUPAC2-[(dimethylamino)methyl]-6-methylcycloheptan-1-one
SMILESCC1CCCC(CN(C)C)C(=O)C1
InChIInChI=1S/C11H21NO/c1-9-5-4-6-10(8-12(2)3)11(13)7-9/h9-10H,4-8H2,1-3H3
InChIKeyAKLZZHZWPYASPD-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.94
Rot. Bonds2

About 2-[(dimethylamino)methyl]-6-methylcycloheptan-1-one

2-[(dimethylamino)methyl]-6-methylcycloheptan-1-one (PubChem CID 20708755) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-6-methylcycloheptan-1-one.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-6-methylcycloheptan-1-one
PubChem CID20708755
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-[(dimethylamino)methyl]-6-methylcycloheptan-1-one
SMILESCC1CCCC(CN(C)C)C(=O)C1
InChIInChI=1S/C11H21NO/c1-9-5-4-6-10(8-12(2)3)11(13)7-9/h9-10H,4-8H2,1-3H3
InChIKeyAKLZZHZWPYASPD-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-6-methylcycloheptan-1-one?
The IUPAC name of 2-[(dimethylamino)methyl]-6-methylcycloheptan-1-one (CID 20708755) is 2-[(dimethylamino)methyl]-6-methylcycloheptan-1-one.
What is the SMILES notation for 2-[(dimethylamino)methyl]-6-methylcycloheptan-1-one?
The canonical SMILES for 2-[(dimethylamino)methyl]-6-methylcycloheptan-1-one is CC1CCCC(CN(C)C)C(=O)C1.
What is the InChIKey of 2-[(dimethylamino)methyl]-6-methylcycloheptan-1-one?
The InChIKey is AKLZZHZWPYASPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-5-4-6-10(8-12(2)3)11(13)7-9/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-6-methylcycloheptan-1-one?
2-[(dimethylamino)methyl]-6-methylcycloheptan-1-one has a molecular weight of 183.29 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-6-methylcycloheptan-1-one is sourced from PubChem (CID 20708755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).