(2S)-1-ethoxy-N,4-dimethylpentan-2-amine

C9H21NO — CID 18649582

IUPAC(2S)-1-ethoxy-N,4-dimethylpentan-2-amine
SMILESCCOC[C@H](CC(C)C)NC
InChIInChI=1S/C9H21NO/c1-5-11-7-9(10-4)6-8(2)3/h8-10H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyVBIDMMPBKIZHLO-VIFPVBQESA-N
MW159.27 g/mol
LogP1.66
Rot. Bonds6

About (2S)-1-ethoxy-N,4-dimethylpentan-2-amine

(2S)-1-ethoxy-N,4-dimethylpentan-2-amine (PubChem CID 18649582) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (2S)-1-ethoxy-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-ethoxy-N,4-dimethylpentan-2-amine
PubChem CID18649582
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(2S)-1-ethoxy-N,4-dimethylpentan-2-amine
SMILESCCOC[C@H](CC(C)C)NC
InChIInChI=1S/C9H21NO/c1-5-11-7-9(10-4)6-8(2)3/h8-10H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyVBIDMMPBKIZHLO-VIFPVBQESA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethoxy-N,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-ethoxy-N,4-dimethylpentan-2-amine (CID 18649582) is (2S)-1-ethoxy-N,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-ethoxy-N,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-ethoxy-N,4-dimethylpentan-2-amine is CCOC[C@H](CC(C)C)NC.
What is the InChIKey of (2S)-1-ethoxy-N,4-dimethylpentan-2-amine?
The InChIKey is VBIDMMPBKIZHLO-VIFPVBQESA-N. The full InChI is InChI=1S/C9H21NO/c1-5-11-7-9(10-4)6-8(2)3/h8-10H,5-7H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-1-ethoxy-N,4-dimethylpentan-2-amine?
(2S)-1-ethoxy-N,4-dimethylpentan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethoxy-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 18649582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).