trans-(1S,2R)-N,N-ditert-butyl-2-ethoxy-2-methylcyclohexan-1-amine

C17H35NO — CID 71197666

IUPACtrans-(1S,2R)-N,N-ditert-butyl-2-ethoxy-2-methylcyclohexan-1-amine
SMILESCCO[C@]1(C)CCCC[C@@H]1N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H35NO/c1-9-19-17(8)13-11-10-12-14(17)18(15(2,3)4)16(5,6)7/h14H,9-13H2,1-8H3/t14-,17+/m0/s1
InChIKeyLGLDKQOANAULMN-WMLDXEAASA-N
MW269.47 g/mol
LogP4.62
Rot. Bonds3

About trans-(1S,2R)-N,N-ditert-butyl-2-ethoxy-2-methylcyclohexan-1-amine

trans-(1S,2R)-N,N-ditert-butyl-2-ethoxy-2-methylcyclohexan-1-amine (PubChem CID 71197666) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is trans-(1S,2R)-N,N-ditert-butyl-2-ethoxy-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-N,N-ditert-butyl-2-ethoxy-2-methylcyclohexan-1-amine
PubChem CID71197666
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Nametrans-(1S,2R)-N,N-ditert-butyl-2-ethoxy-2-methylcyclohexan-1-amine
SMILESCCO[C@]1(C)CCCC[C@@H]1N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H35NO/c1-9-19-17(8)13-11-10-12-14(17)18(15(2,3)4)16(5,6)7/h14H,9-13H2,1-8H3/t14-,17+/m0/s1
InChIKeyLGLDKQOANAULMN-WMLDXEAASA-N
XLogP4.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-N,N-ditert-butyl-2-ethoxy-2-methylcyclohexan-1-amine?
The IUPAC name of trans-(1S,2R)-N,N-ditert-butyl-2-ethoxy-2-methylcyclohexan-1-amine (CID 71197666) is trans-(1S,2R)-N,N-ditert-butyl-2-ethoxy-2-methylcyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2R)-N,N-ditert-butyl-2-ethoxy-2-methylcyclohexan-1-amine?
The canonical SMILES for trans-(1S,2R)-N,N-ditert-butyl-2-ethoxy-2-methylcyclohexan-1-amine is CCO[C@]1(C)CCCC[C@@H]1N(C(C)(C)C)C(C)(C)C.
What is the InChIKey of trans-(1S,2R)-N,N-ditert-butyl-2-ethoxy-2-methylcyclohexan-1-amine?
The InChIKey is LGLDKQOANAULMN-WMLDXEAASA-N. The full InChI is InChI=1S/C17H35NO/c1-9-19-17(8)13-11-10-12-14(17)18(15(2,3)4)16(5,6)7/h14H,9-13H2,1-8H3/t14-,17+/m0/s1.
What are the key properties of trans-(1S,2R)-N,N-ditert-butyl-2-ethoxy-2-methylcyclohexan-1-amine?
trans-(1S,2R)-N,N-ditert-butyl-2-ethoxy-2-methylcyclohexan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-N,N-ditert-butyl-2-ethoxy-2-methylcyclohexan-1-amine is sourced from PubChem (CID 71197666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).