4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine

C16H33NO — CID 177300050

IUPAC4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
SMILESCC(C)(C)OCCNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33NO/c1-15(2,3)13-7-9-14(10-8-13)17-11-12-18-16(4,5)6/h13-14,17H,7-12H2,1-6H3
InChIKeyUWMCBLQQTGQMQQ-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.00
Rot. Bonds4

About 4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine

4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine (PubChem CID 177300050) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
PubChem CID177300050
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
SMILESCC(C)(C)OCCNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33NO/c1-15(2,3)13-7-9-14(10-8-13)17-11-12-18-16(4,5)6/h13-14,17H,7-12H2,1-6H3
InChIKeyUWMCBLQQTGQMQQ-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.00
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 4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine (CID 177300050) is 4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine is CC(C)(C)OCCNC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine?
The InChIKey is UWMCBLQQTGQMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-15(2,3)13-7-9-14(10-8-13)17-11-12-18-16(4,5)6/h13-14,17H,7-12H2,1-6H3.
What are the key properties of 4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine?
4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 177300050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).