[1-(dimethylamino)cycloheptyl]-(4-methylcyclohexyl)methanone

C17H31NO — CID 79074780

IUPAC[1-(dimethylamino)cycloheptyl]-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)C2(N(C)C)CCCCCC2)CC1
InChIInChI=1S/C17H31NO/c1-14-8-10-15(11-9-14)16(19)17(18(2)3)12-6-4-5-7-13-17/h14-15H,4-13H2,1-3H3
InChIKeyHBOPHNNTOMWPHQ-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.04
Rot. Bonds3

About [1-(dimethylamino)cycloheptyl]-(4-methylcyclohexyl)methanone

[1-(dimethylamino)cycloheptyl]-(4-methylcyclohexyl)methanone (PubChem CID 79074780) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is [1-(dimethylamino)cycloheptyl]-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name[1-(dimethylamino)cycloheptyl]-(4-methylcyclohexyl)methanone
PubChem CID79074780
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name[1-(dimethylamino)cycloheptyl]-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)C2(N(C)C)CCCCCC2)CC1
InChIInChI=1S/C17H31NO/c1-14-8-10-15(11-9-14)16(19)17(18(2)3)12-6-4-5-7-13-17/h14-15H,4-13H2,1-3H3
InChIKeyHBOPHNNTOMWPHQ-UHFFFAOYSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cycloheptyl]-(4-methylcyclohexyl)methanone?
The IUPAC name of [1-(dimethylamino)cycloheptyl]-(4-methylcyclohexyl)methanone (CID 79074780) is [1-(dimethylamino)cycloheptyl]-(4-methylcyclohexyl)methanone.
What is the SMILES notation for [1-(dimethylamino)cycloheptyl]-(4-methylcyclohexyl)methanone?
The canonical SMILES for [1-(dimethylamino)cycloheptyl]-(4-methylcyclohexyl)methanone is CC1CCC(C(=O)C2(N(C)C)CCCCCC2)CC1.
What is the InChIKey of [1-(dimethylamino)cycloheptyl]-(4-methylcyclohexyl)methanone?
The InChIKey is HBOPHNNTOMWPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-14-8-10-15(11-9-14)16(19)17(18(2)3)12-6-4-5-7-13-17/h14-15H,4-13H2,1-3H3.
What are the key properties of [1-(dimethylamino)cycloheptyl]-(4-methylcyclohexyl)methanone?
[1-(dimethylamino)cycloheptyl]-(4-methylcyclohexyl)methanone has a molecular weight of 265.44 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cycloheptyl]-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 79074780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).