(2S)-1-ethoxy-N-ethyl-4-methylpentan-2-amine

C10H23NO — CID 18649579

IUPAC(2S)-1-ethoxy-N-ethyl-4-methylpentan-2-amine
SMILESCCN[C@H](COCC)CC(C)C
InChIInChI=1S/C10H23NO/c1-5-11-10(7-9(3)4)8-12-6-2/h9-11H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyDDDBAJCQPMKZRZ-JTQLQIEISA-N
MW173.30 g/mol
LogP2.05
Rot. Bonds7

About (2S)-1-ethoxy-N-ethyl-4-methylpentan-2-amine

(2S)-1-ethoxy-N-ethyl-4-methylpentan-2-amine (PubChem CID 18649579) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is (2S)-1-ethoxy-N-ethyl-4-methylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-ethoxy-N-ethyl-4-methylpentan-2-amine
PubChem CID18649579
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name(2S)-1-ethoxy-N-ethyl-4-methylpentan-2-amine
SMILESCCN[C@H](COCC)CC(C)C
InChIInChI=1S/C10H23NO/c1-5-11-10(7-9(3)4)8-12-6-2/h9-11H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyDDDBAJCQPMKZRZ-JTQLQIEISA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-Methylpropyl)morpholine
CID 20811826
3-(2-Methylpropyl)morpholine--hydrogen chloride (1/1)
CID 22342824
(3S)-3-(2-methylpropyl)morpholine
CID 28064342
4-Ethyl-2-methyl-2-(2-methylpropyl)-1,3-oxazolidine
CID 19920832
(2R)-1-ethoxy-4-methylpentan-2-amine
CID 57790395
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
CID 61490525
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-3-amine
CID 61490601
1-cyclopropyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63912250
N-[1-cyclopropyl-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 63912680
4-methyl-N-[2-(trifluoromethoxy)ethyl]pentan-2-amine
CID 65804268
N-ethyl-3-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 80445850
N,3-dimethyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 80445876

Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethoxy-N-ethyl-4-methylpentan-2-amine?
The IUPAC name of (2S)-1-ethoxy-N-ethyl-4-methylpentan-2-amine (CID 18649579) is (2S)-1-ethoxy-N-ethyl-4-methylpentan-2-amine.
What is the SMILES notation for (2S)-1-ethoxy-N-ethyl-4-methylpentan-2-amine?
The canonical SMILES for (2S)-1-ethoxy-N-ethyl-4-methylpentan-2-amine is CCN[C@H](COCC)CC(C)C.
What is the InChIKey of (2S)-1-ethoxy-N-ethyl-4-methylpentan-2-amine?
The InChIKey is DDDBAJCQPMKZRZ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H23NO/c1-5-11-10(7-9(3)4)8-12-6-2/h9-11H,5-8H2,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-1-ethoxy-N-ethyl-4-methylpentan-2-amine?
(2S)-1-ethoxy-N-ethyl-4-methylpentan-2-amine has a molecular weight of 173.30 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethoxy-N-ethyl-4-methylpentan-2-amine is sourced from PubChem (CID 18649579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).