cis-(1R,2R)-N-tert-butyl-2-ethoxy-N-ethyl-2-methylcyclohexan-1-amine

C15H31NO — CID 71222393

IUPACcis-(1R,2R)-N-tert-butyl-2-ethoxy-N-ethyl-2-methylcyclohexan-1-amine
SMILESCCO[C@]1(C)CCCC[C@H]1N(CC)C(C)(C)C
InChIInChI=1S/C15H31NO/c1-7-16(14(3,4)5)13-11-9-10-12-15(13,6)17-8-2/h13H,7-12H2,1-6H3/t13-,15-/m1/s1
InChIKeyNWQLVRLIXKALGI-UKRRQHHQSA-N
MW241.42 g/mol
LogP3.84
Rot. Bonds4

About cis-(1R,2R)-N-tert-butyl-2-ethoxy-N-ethyl-2-methylcyclohexan-1-amine

cis-(1R,2R)-N-tert-butyl-2-ethoxy-N-ethyl-2-methylcyclohexan-1-amine (PubChem CID 71222393) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is cis-(1R,2R)-N-tert-butyl-2-ethoxy-N-ethyl-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2R)-N-tert-butyl-2-ethoxy-N-ethyl-2-methylcyclohexan-1-amine
PubChem CID71222393
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Namecis-(1R,2R)-N-tert-butyl-2-ethoxy-N-ethyl-2-methylcyclohexan-1-amine
SMILESCCO[C@]1(C)CCCC[C@H]1N(CC)C(C)(C)C
InChIInChI=1S/C15H31NO/c1-7-16(14(3,4)5)13-11-9-10-12-15(13,6)17-8-2/h13H,7-12H2,1-6H3/t13-,15-/m1/s1
InChIKeyNWQLVRLIXKALGI-UKRRQHHQSA-N
XLogP3.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-tert-butyl-2-ethoxy-N-ethyl-2-methylcyclohexan-1-amine?
The IUPAC name of cis-(1R,2R)-N-tert-butyl-2-ethoxy-N-ethyl-2-methylcyclohexan-1-amine (CID 71222393) is cis-(1R,2R)-N-tert-butyl-2-ethoxy-N-ethyl-2-methylcyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2R)-N-tert-butyl-2-ethoxy-N-ethyl-2-methylcyclohexan-1-amine?
The canonical SMILES for cis-(1R,2R)-N-tert-butyl-2-ethoxy-N-ethyl-2-methylcyclohexan-1-amine is CCO[C@]1(C)CCCC[C@H]1N(CC)C(C)(C)C.
What is the InChIKey of cis-(1R,2R)-N-tert-butyl-2-ethoxy-N-ethyl-2-methylcyclohexan-1-amine?
The InChIKey is NWQLVRLIXKALGI-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H31NO/c1-7-16(14(3,4)5)13-11-9-10-12-15(13,6)17-8-2/h13H,7-12H2,1-6H3/t13-,15-/m1/s1.
What are the key properties of cis-(1R,2R)-N-tert-butyl-2-ethoxy-N-ethyl-2-methylcyclohexan-1-amine?
cis-(1R,2R)-N-tert-butyl-2-ethoxy-N-ethyl-2-methylcyclohexan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-N-tert-butyl-2-ethoxy-N-ethyl-2-methylcyclohexan-1-amine is sourced from PubChem (CID 71222393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).