(1R)-N-ethyl-N-methyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine

C13H27NO — CID 70646327

IUPAC(1R)-N-ethyl-N-methyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
SMILESCCN(C)[C@@H]1CCCCC1OC(C)(C)C
InChIInChI=1S/C13H27NO/c1-6-14(5)11-9-7-8-10-12(11)15-13(2,3)4/h11-12H,6-10H2,1-5H3/t11-,12?/m1/s1
InChIKeyVHARFTZXHAZFNV-JHJMLUEUSA-N
MW213.36 g/mol
LogP3.06
Rot. Bonds3

About (1R)-N-ethyl-N-methyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine

(1R)-N-ethyl-N-methyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine (PubChem CID 70646327) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (1R)-N-ethyl-N-methyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound Name(1R)-N-ethyl-N-methyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
PubChem CID70646327
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(1R)-N-ethyl-N-methyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
SMILESCCN(C)[C@@H]1CCCCC1OC(C)(C)C
InChIInChI=1S/C13H27NO/c1-6-14(5)11-9-7-8-10-12(11)15-13(2,3)4/h11-12H,6-10H2,1-5H3/t11-,12?/m1/s1
InChIKeyVHARFTZXHAZFNV-JHJMLUEUSA-N
XLogP3.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-ethyl-N-methyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine?
The IUPAC name of (1R)-N-ethyl-N-methyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine (CID 70646327) is (1R)-N-ethyl-N-methyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine.
What is the SMILES notation for (1R)-N-ethyl-N-methyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine?
The canonical SMILES for (1R)-N-ethyl-N-methyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine is CCN(C)[C@@H]1CCCCC1OC(C)(C)C.
What is the InChIKey of (1R)-N-ethyl-N-methyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine?
The InChIKey is VHARFTZXHAZFNV-JHJMLUEUSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-14(5)11-9-7-8-10-12(11)15-13(2,3)4/h11-12H,6-10H2,1-5H3/t11-,12?/m1/s1.
What are the key properties of (1R)-N-ethyl-N-methyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine?
(1R)-N-ethyl-N-methyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-ethyl-N-methyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 70646327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).