(2R,3S)-3-[(1S)-2-tert-butylcyclopropyl]-1-[(2-methylpropan-2-yl)oxy]butan-2-amine

C15H31NO — CID 71160951

IUPAC(2R,3S)-3-[(1S)-2-tert-butylcyclopropyl]-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESC[C@H]([C@@H](N)COC(C)(C)C)[C@H]1CC1C(C)(C)C
InChIInChI=1S/C15H31NO/c1-10(11-8-12(11)14(2,3)4)13(16)9-17-15(5,6)7/h10-13H,8-9,16H2,1-7H3/t10-,11+,12?,13-/m0/s1
InChIKeyODQXZIPUYXWBDF-HNGCFSAESA-N
MW241.42 g/mol
LogP3.45
Rot. Bonds4

About (2R,3S)-3-[(1S)-2-tert-butylcyclopropyl]-1-[(2-methylpropan-2-yl)oxy]butan-2-amine

(2R,3S)-3-[(1S)-2-tert-butylcyclopropyl]-1-[(2-methylpropan-2-yl)oxy]butan-2-amine (PubChem CID 71160951) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is (2R,3S)-3-[(1S)-2-tert-butylcyclopropyl]-1-[(2-methylpropan-2-yl)oxy]butan-2-amine.

Molecular Properties

Compound Name(2R,3S)-3-[(1S)-2-tert-butylcyclopropyl]-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
PubChem CID71160951
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name(2R,3S)-3-[(1S)-2-tert-butylcyclopropyl]-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESC[C@H]([C@@H](N)COC(C)(C)C)[C@H]1CC1C(C)(C)C
InChIInChI=1S/C15H31NO/c1-10(11-8-12(11)14(2,3)4)13(16)9-17-15(5,6)7/h10-13H,8-9,16H2,1-7H3/t10-,11+,12?,13-/m0/s1
InChIKeyODQXZIPUYXWBDF-HNGCFSAESA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[(1S)-2-tert-butylcyclopropyl]-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The IUPAC name of (2R,3S)-3-[(1S)-2-tert-butylcyclopropyl]-1-[(2-methylpropan-2-yl)oxy]butan-2-amine (CID 71160951) is (2R,3S)-3-[(1S)-2-tert-butylcyclopropyl]-1-[(2-methylpropan-2-yl)oxy]butan-2-amine.
What is the SMILES notation for (2R,3S)-3-[(1S)-2-tert-butylcyclopropyl]-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The canonical SMILES for (2R,3S)-3-[(1S)-2-tert-butylcyclopropyl]-1-[(2-methylpropan-2-yl)oxy]butan-2-amine is C[C@H]([C@@H](N)COC(C)(C)C)[C@H]1CC1C(C)(C)C.
What is the InChIKey of (2R,3S)-3-[(1S)-2-tert-butylcyclopropyl]-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The InChIKey is ODQXZIPUYXWBDF-HNGCFSAESA-N. The full InChI is InChI=1S/C15H31NO/c1-10(11-8-12(11)14(2,3)4)13(16)9-17-15(5,6)7/h10-13H,8-9,16H2,1-7H3/t10-,11+,12?,13-/m0/s1.
What are the key properties of (2R,3S)-3-[(1S)-2-tert-butylcyclopropyl]-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
(2R,3S)-3-[(1S)-2-tert-butylcyclopropyl]-1-[(2-methylpropan-2-yl)oxy]butan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[(1S)-2-tert-butylcyclopropyl]-1-[(2-methylpropan-2-yl)oxy]butan-2-amine is sourced from PubChem (CID 71160951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).