2-butoxy-3-methoxypropan-1-amine

C8H19NO2 — CID 103227994

IUPAC2-butoxy-3-methoxypropan-1-amine
SMILESCCCCOC(CN)COC
InChIInChI=1S/C8H19NO2/c1-3-4-5-11-8(6-9)7-10-2/h8H,3-7,9H2,1-2H3
InChIKeyNIVWBDMAASOSME-UHFFFAOYSA-N
MW161.25 g/mol
LogP0.78
Rot. Bonds7

About 2-butoxy-3-methoxypropan-1-amine

2-butoxy-3-methoxypropan-1-amine (PubChem CID 103227994) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-butoxy-3-methoxypropan-1-amine.

Molecular Properties

Compound Name2-butoxy-3-methoxypropan-1-amine
PubChem CID103227994
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name2-butoxy-3-methoxypropan-1-amine
SMILESCCCCOC(CN)COC
InChIInChI=1S/C8H19NO2/c1-3-4-5-11-8(6-9)7-10-2/h8H,3-7,9H2,1-2H3
InChIKeyNIVWBDMAASOSME-UHFFFAOYSA-N
XLogP0.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-dodecoxy-3-hexadecoxypropan-1-amine
CID 10299682
3-octadecoxy-2-tetradecoxypropan-1-amine
CID 10209091
2-hexadecoxy-3-tetradecoxypropan-1-amine
CID 11827343
1-(3-methoxy-2-propoxypropoxy)butane
CID 90999549
2-(3,3-dimethylbutoxy)-3-methoxypropan-1-amine
CID 103228824
(2S)-3-methoxy-2-octadecoxypropan-1-ol
CID 22837281
2-dodecoxy-3-octadec-9-enoxypropan-1-amine
CID 73078793
2-dodecoxy-3-[(E)-octadec-9-enoxy]propan-1-amine
CID 10142240
2-(1-aminohexan-2-yloxy)ethanol
CID 103376898
1-[1-methoxy-3-(2-methoxyethoxy)propan-2-yl]oxyoctadecane
CID 126614147
2-hexadecoxypropane-1,3-diol
CID 12924931
N-ethyl-3-methoxy-2-pentoxypropan-1-amine
CID 103228001

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-3-methoxypropan-1-amine?
The IUPAC name of 2-butoxy-3-methoxypropan-1-amine (CID 103227994) is 2-butoxy-3-methoxypropan-1-amine.
What is the SMILES notation for 2-butoxy-3-methoxypropan-1-amine?
The canonical SMILES for 2-butoxy-3-methoxypropan-1-amine is CCCCOC(CN)COC.
What is the InChIKey of 2-butoxy-3-methoxypropan-1-amine?
The InChIKey is NIVWBDMAASOSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-3-4-5-11-8(6-9)7-10-2/h8H,3-7,9H2,1-2H3.
What are the key properties of 2-butoxy-3-methoxypropan-1-amine?
2-butoxy-3-methoxypropan-1-amine has a molecular weight of 161.25 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-3-methoxypropan-1-amine is sourced from PubChem (CID 103227994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).