1-cyclohexyl-1-methoxyundecan-2-amine

C18H37NO — CID 116771184

IUPAC1-cyclohexyl-1-methoxyundecan-2-amine
SMILESCCCCCCCCCC(N)C(OC)C1CCCCC1
InChIInChI=1S/C18H37NO/c1-3-4-5-6-7-8-12-15-17(19)18(20-2)16-13-10-9-11-14-16/h16-18H,3-15,19H2,1-2H3
InChIKeyOOFWKTTWIZRBSF-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.05
Rot. Bonds11

About 1-cyclohexyl-1-methoxyundecan-2-amine

1-cyclohexyl-1-methoxyundecan-2-amine (PubChem CID 116771184) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 1-cyclohexyl-1-methoxyundecan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-1-methoxyundecan-2-amine
PubChem CID116771184
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name1-cyclohexyl-1-methoxyundecan-2-amine
SMILESCCCCCCCCCC(N)C(OC)C1CCCCC1
InChIInChI=1S/C18H37NO/c1-3-4-5-6-7-8-12-15-17(19)18(20-2)16-13-10-9-11-14-16/h16-18H,3-15,19H2,1-2H3
InChIKeyOOFWKTTWIZRBSF-UHFFFAOYSA-N
XLogP5.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methoxyundecan-2-amine?
The IUPAC name of 1-cyclohexyl-1-methoxyundecan-2-amine (CID 116771184) is 1-cyclohexyl-1-methoxyundecan-2-amine.
What is the SMILES notation for 1-cyclohexyl-1-methoxyundecan-2-amine?
The canonical SMILES for 1-cyclohexyl-1-methoxyundecan-2-amine is CCCCCCCCCC(N)C(OC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-methoxyundecan-2-amine?
The InChIKey is OOFWKTTWIZRBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-3-4-5-6-7-8-12-15-17(19)18(20-2)16-13-10-9-11-14-16/h16-18H,3-15,19H2,1-2H3.
What are the key properties of 1-cyclohexyl-1-methoxyundecan-2-amine?
1-cyclohexyl-1-methoxyundecan-2-amine has a molecular weight of 283.50 g/mol, XLogP of 5.05, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methoxyundecan-2-amine is sourced from PubChem (CID 116771184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).