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

C16H33NO — CID 83139451

IUPAC2-cycloheptyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
SMILESCOCCNCC(C1CCCCCC1)C(C)(C)C
InChIInChI=1S/C16H33NO/c1-16(2,3)15(13-17-11-12-18-4)14-9-7-5-6-8-10-14/h14-15,17H,5-13H2,1-4H3
InChIKeyWSMIOAGNBWZMMC-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.86
Rot. Bonds6

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

2-cycloheptyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine (PubChem CID 83139451) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-cycloheptyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-cycloheptyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
PubChem CID83139451
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2-cycloheptyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
SMILESCOCCNCC(C1CCCCCC1)C(C)(C)C
InChIInChI=1S/C16H33NO/c1-16(2,3)15(13-17-11-12-18-4)14-9-7-5-6-8-10-14/h14-15,17H,5-13H2,1-4H3
InChIKeyWSMIOAGNBWZMMC-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.86
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-cyclohexyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83138862
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-cycloheptyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-cycloheptyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine (CID 83139451) is 2-cycloheptyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-cycloheptyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-cycloheptyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine is COCCNCC(C1CCCCCC1)C(C)(C)C.
What is the InChIKey of 2-cycloheptyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
The InChIKey is WSMIOAGNBWZMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-16(2,3)15(13-17-11-12-18-4)14-9-7-5-6-8-10-14/h14-15,17H,5-13H2,1-4H3.
What are the key properties of 2-cycloheptyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
2-cycloheptyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 83139451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).