(6R)-N-(2,2-dimethylpropyl)-6-(2-methoxyethyl)-8,8-dimethylnonan-1-amine

C19H41NO — CID 118887834

IUPAC(6R)-N-(2,2-dimethylpropyl)-6-(2-methoxyethyl)-8,8-dimethylnonan-1-amine
SMILESCOCC[C@H](CCCCCNCC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C19H41NO/c1-18(2,3)15-17(12-14-21-7)11-9-8-10-13-20-16-19(4,5)6/h17,20H,8-16H2,1-7H3/t17-/m0/s1
InChIKeyFRRQLVVRKXIFTG-KRWDZBQOSA-N
MW299.54 g/mol
LogP5.27
Rot. Bonds11

About (6R)-N-(2,2-dimethylpropyl)-6-(2-methoxyethyl)-8,8-dimethylnonan-1-amine

(6R)-N-(2,2-dimethylpropyl)-6-(2-methoxyethyl)-8,8-dimethylnonan-1-amine (PubChem CID 118887834) has the molecular formula C19H41NO and a molecular weight of 299.54 g/mol. Its IUPAC name is (6R)-N-(2,2-dimethylpropyl)-6-(2-methoxyethyl)-8,8-dimethylnonan-1-amine.

Molecular Properties

Compound Name(6R)-N-(2,2-dimethylpropyl)-6-(2-methoxyethyl)-8,8-dimethylnonan-1-amine
PubChem CID118887834
Molecular FormulaC19H41NO
Molecular Weight299.54 g/mol
Exact Mass299.32
IUPAC Name(6R)-N-(2,2-dimethylpropyl)-6-(2-methoxyethyl)-8,8-dimethylnonan-1-amine
SMILESCOCC[C@H](CCCCCNCC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C19H41NO/c1-18(2,3)15-17(12-14-21-7)11-9-8-10-13-20-16-19(4,5)6/h17,20H,8-16H2,1-7H3/t17-/m0/s1
InChIKeyFRRQLVVRKXIFTG-KRWDZBQOSA-N
XLogP5.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.54
LogP ≤ 55.27
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 (6R)-N-(2,2-dimethylpropyl)-6-(2-methoxyethyl)-8,8-dimethylnonan-1-amine?
The IUPAC name of (6R)-N-(2,2-dimethylpropyl)-6-(2-methoxyethyl)-8,8-dimethylnonan-1-amine (CID 118887834) is (6R)-N-(2,2-dimethylpropyl)-6-(2-methoxyethyl)-8,8-dimethylnonan-1-amine.
What is the SMILES notation for (6R)-N-(2,2-dimethylpropyl)-6-(2-methoxyethyl)-8,8-dimethylnonan-1-amine?
The canonical SMILES for (6R)-N-(2,2-dimethylpropyl)-6-(2-methoxyethyl)-8,8-dimethylnonan-1-amine is COCC[C@H](CCCCCNCC(C)(C)C)CC(C)(C)C.
What is the InChIKey of (6R)-N-(2,2-dimethylpropyl)-6-(2-methoxyethyl)-8,8-dimethylnonan-1-amine?
The InChIKey is FRRQLVVRKXIFTG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H41NO/c1-18(2,3)15-17(12-14-21-7)11-9-8-10-13-20-16-19(4,5)6/h17,20H,8-16H2,1-7H3/t17-/m0/s1.
What are the key properties of (6R)-N-(2,2-dimethylpropyl)-6-(2-methoxyethyl)-8,8-dimethylnonan-1-amine?
(6R)-N-(2,2-dimethylpropyl)-6-(2-methoxyethyl)-8,8-dimethylnonan-1-amine has a molecular weight of 299.54 g/mol, XLogP of 5.27, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-(2,2-dimethylpropyl)-6-(2-methoxyethyl)-8,8-dimethylnonan-1-amine is sourced from PubChem (CID 118887834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).