(2S)-2-ethoxy-N-propylpropan-1-amine

C8H19NO — CID 176570323

IUPAC(2S)-2-ethoxy-N-propylpropan-1-amine
SMILESCCCNC[C@H](C)OCC
InChIInChI=1S/C8H19NO/c1-4-6-9-7-8(3)10-5-2/h8-9H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyQAVGKDWUKBNWEA-QMMMGPOBSA-N
MW145.25 g/mol
LogP1.41
Rot. Bonds6

About (2S)-2-ethoxy-N-propylpropan-1-amine

(2S)-2-ethoxy-N-propylpropan-1-amine (PubChem CID 176570323) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is (2S)-2-ethoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name(2S)-2-ethoxy-N-propylpropan-1-amine
PubChem CID176570323
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name(2S)-2-ethoxy-N-propylpropan-1-amine
SMILESCCCNC[C@H](C)OCC
InChIInChI=1S/C8H19NO/c1-4-6-9-7-8(3)10-5-2/h8-9H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyQAVGKDWUKBNWEA-QMMMGPOBSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-propylpentan-1-amine
CID 62446191
2-ethoxy-N-[2-(2-methylpropoxy)ethyl]propan-1-amine
CID 106452518
2-butan-2-yloxy-N-propylpropan-1-amine
CID 62453626
2-ethoxy-N-[3-(2-methoxyethoxy)propyl]propan-1-amine
CID 103409669
N-propyl-2-(4,4,4-trifluorobutoxy)propan-1-amine
CID 82792300
N-(2-propoxypropyl)butan-1-amine
CID 62583755
2-methyl-N-propylpropan-1-amine
CID 520943
2-(2-cyclobutylethoxy)-N-propylpropan-1-amine
CID 106206061
2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine
CID 62484584
4-(2-ethoxypropylamino)-N'-hydroxybutanimidamide
CID 104864232
N-[2-(2-ethoxyethoxy)propyl]pentan-1-amine
CID 62565008
(2S)-2-iodo-N-propylpropan-1-amine
CID 139491704

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-N-propylpropan-1-amine?
The IUPAC name of (2S)-2-ethoxy-N-propylpropan-1-amine (CID 176570323) is (2S)-2-ethoxy-N-propylpropan-1-amine.
What is the SMILES notation for (2S)-2-ethoxy-N-propylpropan-1-amine?
The canonical SMILES for (2S)-2-ethoxy-N-propylpropan-1-amine is CCCNC[C@H](C)OCC.
What is the InChIKey of (2S)-2-ethoxy-N-propylpropan-1-amine?
The InChIKey is QAVGKDWUKBNWEA-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-6-9-7-8(3)10-5-2/h8-9H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-2-ethoxy-N-propylpropan-1-amine?
(2S)-2-ethoxy-N-propylpropan-1-amine has a molecular weight of 145.25 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-N-propylpropan-1-amine is sourced from PubChem (CID 176570323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).