2-[(N-methylanilino)methyl]-4-propylcyclohexan-1-one

C17H25NO — CID 62612678

IUPAC2-[(N-methylanilino)methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(C)c2ccccc2)C1
InChIInChI=1S/C17H25NO/c1-3-7-14-10-11-17(19)15(12-14)13-18(2)16-8-5-4-6-9-16/h4-6,8-9,14-15H,3,7,10-13H2,1-2H3
InChIKeyHWRRPEFMOVXCJO-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.91
Rot. Bonds5

About 2-[(N-methylanilino)methyl]-4-propylcyclohexan-1-one

2-[(N-methylanilino)methyl]-4-propylcyclohexan-1-one (PubChem CID 62612678) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-[(N-methylanilino)methyl]-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(N-methylanilino)methyl]-4-propylcyclohexan-1-one
PubChem CID62612678
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-[(N-methylanilino)methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(C)c2ccccc2)C1
InChIInChI=1S/C17H25NO/c1-3-7-14-10-11-17(19)15(12-14)13-18(2)16-8-5-4-6-9-16/h4-6,8-9,14-15H,3,7,10-13H2,1-2H3
InChIKeyHWRRPEFMOVXCJO-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(N-methylanilino)methyl]-4-propylcyclohexan-1-one?
The IUPAC name of 2-[(N-methylanilino)methyl]-4-propylcyclohexan-1-one (CID 62612678) is 2-[(N-methylanilino)methyl]-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-[(N-methylanilino)methyl]-4-propylcyclohexan-1-one?
The canonical SMILES for 2-[(N-methylanilino)methyl]-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(CN(C)c2ccccc2)C1.
What is the InChIKey of 2-[(N-methylanilino)methyl]-4-propylcyclohexan-1-one?
The InChIKey is HWRRPEFMOVXCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-7-14-10-11-17(19)15(12-14)13-18(2)16-8-5-4-6-9-16/h4-6,8-9,14-15H,3,7,10-13H2,1-2H3.
What are the key properties of 2-[(N-methylanilino)methyl]-4-propylcyclohexan-1-one?
2-[(N-methylanilino)methyl]-4-propylcyclohexan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-methylanilino)methyl]-4-propylcyclohexan-1-one is sourced from PubChem (CID 62612678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).