2-(2-propoxyethoxy)propan-1-amine

C8H19NO2 — CID 63686172

IUPAC2-(2-propoxyethoxy)propan-1-amine
SMILESCCCOCCOC(C)CN
InChIInChI=1S/C8H19NO2/c1-3-4-10-5-6-11-8(2)7-9/h8H,3-7,9H2,1-2H3
InChIKeyKMHCJAGXOOBVEK-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.78
Rot. Bonds7

About 2-(2-propoxyethoxy)propan-1-amine

2-(2-propoxyethoxy)propan-1-amine (PubChem CID 63686172) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 2-(2-propoxyethoxy)propan-1-amine.

Molecular Properties

Compound Name2-(2-propoxyethoxy)propan-1-amine
PubChem CID63686172
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name2-(2-propoxyethoxy)propan-1-amine
SMILESCCCOCCOC(C)CN
InChIInChI=1S/C8H19NO2/c1-3-4-10-5-6-11-8(2)7-9/h8H,3-7,9H2,1-2H3
InChIKeyKMHCJAGXOOBVEK-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 ≤ 500161.24
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

(2S)-2-[2-(2-methoxyethoxy)ethoxy]propan-1-amine
CID 102416894
2-[2-(3-methoxypropoxy)ethoxy]propan-1-amine
CID 103175854
2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-(2-propoxyethoxy)ethoxy]propane
CID 162194347
1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane
CID 130291288
N-methyl-2-(2-propoxyethoxy)propan-1-amine
CID 63685331
3-(2-butan-2-yloxyethoxy)propan-1-amine
CID 88947745
2-[2-[2-(2-aminopropoxy)propoxy]ethoxy]propan-1-amine
CID 58898571
2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane
CID 87065837
tert-butyl 2-(2-propoxyethoxy)propanoate
CID 66338102
2-(1-aminopropan-2-yloxy)ethanol;hydrochloride
CID 86645498
3-butoxy-1-propoxybutane
CID 57175368
methyl 2-amino-2-methyl-4-(2-propoxyethoxy)pentanoate
CID 64720266

Frequently Asked Questions

What is the IUPAC name of 2-(2-propoxyethoxy)propan-1-amine?
The IUPAC name of 2-(2-propoxyethoxy)propan-1-amine (CID 63686172) is 2-(2-propoxyethoxy)propan-1-amine.
What is the SMILES notation for 2-(2-propoxyethoxy)propan-1-amine?
The canonical SMILES for 2-(2-propoxyethoxy)propan-1-amine is CCCOCCOC(C)CN.
What is the InChIKey of 2-(2-propoxyethoxy)propan-1-amine?
The InChIKey is KMHCJAGXOOBVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-3-4-10-5-6-11-8(2)7-9/h8H,3-7,9H2,1-2H3.
What are the key properties of 2-(2-propoxyethoxy)propan-1-amine?
2-(2-propoxyethoxy)propan-1-amine has a molecular weight of 161.24 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-(2-propoxyethoxy)propan-1-amine is sourced from PubChem (CID 63686172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).