(2R,3R)-3-[(4R)-3,4-dimethylheptan-3-yl]oxy-N-ethylbutan-2-amine

C15H33NO — CID 138479891

IUPAC(2R,3R)-3-[(4R)-3,4-dimethylheptan-3-yl]oxy-N-ethylbutan-2-amine
SMILESCCC[C@@H](C)C(C)(CC)O[C@H](C)[C@@H](C)NCC
InChIInChI=1S/C15H33NO/c1-8-11-12(4)15(7,9-2)17-14(6)13(5)16-10-3/h12-14,16H,8-11H2,1-7H3/t12-,13-,14-,15?/m1/s1
InChIKeyPQAYXTOUYKWGBI-CBNXCZCTSA-N
MW243.43 g/mol
LogP3.99
Rot. Bonds9

About (2R,3R)-3-[(4R)-3,4-dimethylheptan-3-yl]oxy-N-ethylbutan-2-amine

(2R,3R)-3-[(4R)-3,4-dimethylheptan-3-yl]oxy-N-ethylbutan-2-amine (PubChem CID 138479891) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is (2R,3R)-3-[(4R)-3,4-dimethylheptan-3-yl]oxy-N-ethylbutan-2-amine.

Molecular Properties

Compound Name(2R,3R)-3-[(4R)-3,4-dimethylheptan-3-yl]oxy-N-ethylbutan-2-amine
PubChem CID138479891
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name(2R,3R)-3-[(4R)-3,4-dimethylheptan-3-yl]oxy-N-ethylbutan-2-amine
SMILESCCC[C@@H](C)C(C)(CC)O[C@H](C)[C@@H](C)NCC
InChIInChI=1S/C15H33NO/c1-8-11-12(4)15(7,9-2)17-14(6)13(5)16-10-3/h12-14,16H,8-11H2,1-7H3/t12-,13-,14-,15?/m1/s1
InChIKeyPQAYXTOUYKWGBI-CBNXCZCTSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[(4R)-3,4-dimethylheptan-3-yl]oxy-N-ethylbutan-2-amine?
The IUPAC name of (2R,3R)-3-[(4R)-3,4-dimethylheptan-3-yl]oxy-N-ethylbutan-2-amine (CID 138479891) is (2R,3R)-3-[(4R)-3,4-dimethylheptan-3-yl]oxy-N-ethylbutan-2-amine.
What is the SMILES notation for (2R,3R)-3-[(4R)-3,4-dimethylheptan-3-yl]oxy-N-ethylbutan-2-amine?
The canonical SMILES for (2R,3R)-3-[(4R)-3,4-dimethylheptan-3-yl]oxy-N-ethylbutan-2-amine is CCC[C@@H](C)C(C)(CC)O[C@H](C)[C@@H](C)NCC.
What is the InChIKey of (2R,3R)-3-[(4R)-3,4-dimethylheptan-3-yl]oxy-N-ethylbutan-2-amine?
The InChIKey is PQAYXTOUYKWGBI-CBNXCZCTSA-N. The full InChI is InChI=1S/C15H33NO/c1-8-11-12(4)15(7,9-2)17-14(6)13(5)16-10-3/h12-14,16H,8-11H2,1-7H3/t12-,13-,14-,15?/m1/s1.
What are the key properties of (2R,3R)-3-[(4R)-3,4-dimethylheptan-3-yl]oxy-N-ethylbutan-2-amine?
(2R,3R)-3-[(4R)-3,4-dimethylheptan-3-yl]oxy-N-ethylbutan-2-amine has a molecular weight of 243.43 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[(4R)-3,4-dimethylheptan-3-yl]oxy-N-ethylbutan-2-amine is sourced from PubChem (CID 138479891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).