6-[(4-methylcyclohexyl)amino]naphthalene-2-carbaldehyde

C18H21NO — CID 90026924

IUPAC6-[(4-methylcyclohexyl)amino]naphthalene-2-carbaldehyde
SMILESCC1CCC(Nc2ccc3cc(C=O)ccc3c2)CC1
InChIInChI=1S/C18H21NO/c1-13-2-7-17(8-3-13)19-18-9-6-15-10-14(12-20)4-5-16(15)11-18/h4-6,9-13,17,19H,2-3,7-8H2,1H3
InChIKeyDOIRICSTLTZDIN-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.64
Rot. Bonds3

About 6-[(4-methylcyclohexyl)amino]naphthalene-2-carbaldehyde

6-[(4-methylcyclohexyl)amino]naphthalene-2-carbaldehyde (PubChem CID 90026924) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 6-[(4-methylcyclohexyl)amino]naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name6-[(4-methylcyclohexyl)amino]naphthalene-2-carbaldehyde
PubChem CID90026924
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name6-[(4-methylcyclohexyl)amino]naphthalene-2-carbaldehyde
SMILESCC1CCC(Nc2ccc3cc(C=O)ccc3c2)CC1
InChIInChI=1S/C18H21NO/c1-13-2-7-17(8-3-13)19-18-9-6-15-10-14(12-20)4-5-16(15)11-18/h4-6,9-13,17,19H,2-3,7-8H2,1H3
InChIKeyDOIRICSTLTZDIN-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylcyclohexyl)amino]naphthalene-2-carbaldehyde?
The IUPAC name of 6-[(4-methylcyclohexyl)amino]naphthalene-2-carbaldehyde (CID 90026924) is 6-[(4-methylcyclohexyl)amino]naphthalene-2-carbaldehyde.
What is the SMILES notation for 6-[(4-methylcyclohexyl)amino]naphthalene-2-carbaldehyde?
The canonical SMILES for 6-[(4-methylcyclohexyl)amino]naphthalene-2-carbaldehyde is CC1CCC(Nc2ccc3cc(C=O)ccc3c2)CC1.
What is the InChIKey of 6-[(4-methylcyclohexyl)amino]naphthalene-2-carbaldehyde?
The InChIKey is DOIRICSTLTZDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-2-7-17(8-3-13)19-18-9-6-15-10-14(12-20)4-5-16(15)11-18/h4-6,9-13,17,19H,2-3,7-8H2,1H3.
What are the key properties of 6-[(4-methylcyclohexyl)amino]naphthalene-2-carbaldehyde?
6-[(4-methylcyclohexyl)amino]naphthalene-2-carbaldehyde has a molecular weight of 267.37 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylcyclohexyl)amino]naphthalene-2-carbaldehyde is sourced from PubChem (CID 90026924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).