2-cyclohexyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine

C15H31NO — CID 83138862

IUPAC2-cyclohexyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
SMILESCOCCNCC(C1CCCCC1)C(C)(C)C
InChIInChI=1S/C15H31NO/c1-15(2,3)14(12-16-10-11-17-4)13-8-6-5-7-9-13/h13-14,16H,5-12H2,1-4H3
InChIKeyZYNZOUSYQDDQFI-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.46
Rot. Bonds6

About 2-cyclohexyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine

2-cyclohexyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine (PubChem CID 83138862) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-cyclohexyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
PubChem CID83138862
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-cyclohexyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
SMILESCOCCNCC(C1CCCCC1)C(C)(C)C
InChIInChI=1S/C15H31NO/c1-15(2,3)14(12-16-10-11-17-4)13-8-6-5-7-9-13/h13-14,16H,5-12H2,1-4H3
InChIKeyZYNZOUSYQDDQFI-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.46
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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Related Compounds

2-cycloheptyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83139451
2-cyclopentyl-3,3-dimethyl-N-propylbutan-1-amine
CID 83139413
3-cyclohexyl-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62725662
2-cyclohexyl-N-(2-methoxyethyl)-2-methylsulfonylethanamine
CID 82933057
4-tert-butylsulfonyl-2-cyclopentyl-N-(2-methoxyethyl)butan-1-amine
CID 106730380
2-cyclopentyl-N-(2-methoxyethyl)octan-1-amine
CID 112570187
2-(4-bromophenyl)-2-cycloheptyl-N-(2-methoxyethyl)ethanamine
CID 82934143
N'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62573665
2-cyclohexyl-4-(2-methoxyethylamino)butan-1-ol
CID 165464562
2-cyclopentyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 82934194
2-cyclopentyl-2-(3,5-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 82936231
2-(cyclopentylmethyl)-N-(2-methoxyethyl)pentan-1-amine
CID 62718489

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-cyclohexyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine (CID 83138862) is 2-cyclohexyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-cyclohexyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-cyclohexyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine is COCCNCC(C1CCCCC1)C(C)(C)C.
What is the InChIKey of 2-cyclohexyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
The InChIKey is ZYNZOUSYQDDQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-15(2,3)14(12-16-10-11-17-4)13-8-6-5-7-9-13/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 2-cyclohexyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
2-cyclohexyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 83138862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).