N-[(1S,2R)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine

C17H35NO — CID 59906420

IUPACN-[(1S,2R)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine
SMILESC[C@@H](NC(C)(C)C)[C@@H](OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C17H35NO/c1-13(18-16(2,3)4)15(19-17(5,6)7)14-11-9-8-10-12-14/h13-15,18H,8-12H2,1-7H3/t13-,15-/m1/s1
InChIKeyOFHOBISSIQSAKG-UKRRQHHQSA-N
MW269.47 g/mol
LogP4.53
Rot. Bonds4

About N-[(1S,2R)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine

N-[(1S,2R)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine (PubChem CID 59906420) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-[(1S,2R)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(1S,2R)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine
PubChem CID59906420
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-[(1S,2R)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine
SMILESC[C@@H](NC(C)(C)C)[C@@H](OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C17H35NO/c1-13(18-16(2,3)4)15(19-17(5,6)7)14-11-9-8-10-12-14/h13-15,18H,8-12H2,1-7H3/t13-,15-/m1/s1
InChIKeyOFHOBISSIQSAKG-UKRRQHHQSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine?
The IUPAC name of N-[(1S,2R)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine (CID 59906420) is N-[(1S,2R)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(1S,2R)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(1S,2R)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine is C[C@@H](NC(C)(C)C)[C@@H](OC(C)(C)C)C1CCCCC1.
What is the InChIKey of N-[(1S,2R)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine?
The InChIKey is OFHOBISSIQSAKG-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H35NO/c1-13(18-16(2,3)4)15(19-17(5,6)7)14-11-9-8-10-12-14/h13-15,18H,8-12H2,1-7H3/t13-,15-/m1/s1.
What are the key properties of N-[(1S,2R)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine?
N-[(1S,2R)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine has a molecular weight of 269.47 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 59906420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).