1-methyl-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol

C19H25NO — CID 68673872

IUPAC1-methyl-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol
SMILESCNCC1(c2ccc3ccccc3c2)CCC(C)(O)CC1
InChIInChI=1S/C19H25NO/c1-18(21)9-11-19(12-10-18,14-20-2)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13,20-21H,9-12,14H2,1-2H3
InChIKeyVIIGZGNGELGDCF-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.62
Rot. Bonds3

About 1-methyl-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol

1-methyl-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol (PubChem CID 68673872) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-methyl-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-methyl-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol
PubChem CID68673872
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-methyl-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol
SMILESCNCC1(c2ccc3ccccc3c2)CCC(C)(O)CC1
InChIInChI=1S/C19H25NO/c1-18(21)9-11-19(12-10-18,14-20-2)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13,20-21H,9-12,14H2,1-2H3
InChIKeyVIIGZGNGELGDCF-UHFFFAOYSA-N
XLogP3.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol?
The IUPAC name of 1-methyl-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol (CID 68673872) is 1-methyl-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-methyl-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-methyl-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol is CNCC1(c2ccc3ccccc3c2)CCC(C)(O)CC1.
What is the InChIKey of 1-methyl-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol?
The InChIKey is VIIGZGNGELGDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-18(21)9-11-19(12-10-18,14-20-2)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13,20-21H,9-12,14H2,1-2H3.
What are the key properties of 1-methyl-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol?
1-methyl-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol has a molecular weight of 283.42 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol is sourced from PubChem (CID 68673872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).