ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine

C17H29N — CID 143603209

IUPACethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine
SMILESCC.Cc1ccc(CN(C)C2CCCCC2)cc1
InChIInChI=1S/C15H23N.C2H6/c1-13-8-10-14(11-9-13)12-16(2)15-6-4-3-5-7-15;1-2/h8-11,15H,3-7,12H2,1-2H3;1-2H3
InChIKeyMPGYNAUZRKQUKX-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.79
Rot. Bonds3

About ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine

ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine (PubChem CID 143603209) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine.

Molecular Properties

Compound Nameethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine
PubChem CID143603209
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Nameethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine
SMILESCC.Cc1ccc(CN(C)C2CCCCC2)cc1
InChIInChI=1S/C15H23N.C2H6/c1-13-8-10-14(11-9-13)12-16(2)15-6-4-3-5-7-15;1-2/h8-11,15H,3-7,12H2,1-2H3;1-2H3
InChIKeyMPGYNAUZRKQUKX-UHFFFAOYSA-N
XLogP4.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine?
The IUPAC name of ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine (CID 143603209) is ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine.
What is the SMILES notation for ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine?
The canonical SMILES for ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine is CC.Cc1ccc(CN(C)C2CCCCC2)cc1.
What is the InChIKey of ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine?
The InChIKey is MPGYNAUZRKQUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C2H6/c1-13-8-10-14(11-9-13)12-16(2)15-6-4-3-5-7-15;1-2/h8-11,15H,3-7,12H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine?
ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine has a molecular weight of 247.43 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine is sourced from PubChem (CID 143603209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).