1-(aminomethyl)-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine

C17H28N2O — CID 106872249

IUPAC1-(aminomethyl)-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
SMILESCOC1CCCC(CN)(N(C)Cc2cccc(C)c2)C1
InChIInChI=1S/C17H28N2O/c1-14-6-4-7-15(10-14)12-19(2)17(13-18)9-5-8-16(11-17)20-3/h4,6-7,10,16H,5,8-9,11-13,18H2,1-3H3
InChIKeyYZVNJOCXZVTWRO-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.71
Rot. Bonds5

About 1-(aminomethyl)-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine

1-(aminomethyl)-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine (PubChem CID 106872249) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
PubChem CID106872249
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(aminomethyl)-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
SMILESCOC1CCCC(CN)(N(C)Cc2cccc(C)c2)C1
InChIInChI=1S/C17H28N2O/c1-14-6-4-7-15(10-14)12-19(2)17(13-18)9-5-8-16(11-17)20-3/h4,6-7,10,16H,5,8-9,11-13,18H2,1-3H3
InChIKeyYZVNJOCXZVTWRO-UHFFFAOYSA-N
XLogP2.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine (CID 106872249) is 1-(aminomethyl)-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine is COC1CCCC(CN)(N(C)Cc2cccc(C)c2)C1.
What is the InChIKey of 1-(aminomethyl)-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is YZVNJOCXZVTWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14-6-4-7-15(10-14)12-19(2)17(13-18)9-5-8-16(11-17)20-3/h4,6-7,10,16H,5,8-9,11-13,18H2,1-3H3.
What are the key properties of 1-(aminomethyl)-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine?
1-(aminomethyl)-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 106872249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).