2-propoxypropan-1-amine

C6H15NO — CID 22450269

IUPAC2-propoxypropan-1-amine
SMILESCCCOC(C)CN
InChIInChI=1S/C6H15NO/c1-3-4-8-6(2)5-7/h6H,3-5,7H2,1-2H3
InChIKeyZYSOCEMLXONWAC-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.76
Rot. Bonds4

About 2-propoxypropan-1-amine

2-propoxypropan-1-amine (PubChem CID 22450269) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 2-propoxypropan-1-amine.

Molecular Properties

Compound Name2-propoxypropan-1-amine
PubChem CID22450269
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name2-propoxypropan-1-amine
SMILESCCCOC(C)CN
InChIInChI=1S/C6H15NO/c1-3-4-8-6(2)5-7/h6H,3-5,7H2,1-2H3
InChIKeyZYSOCEMLXONWAC-UHFFFAOYSA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethoxyethylamine
CID 66970
3-Isopropoxypropylamine
CID 76194
2-Propoxyethylamine
CID 111878
2-(Propan-2-yloxy)ethan-1-amine
CID 533866
2-Ethoxypropan-1-amine
CID 22450283
2-Butoxyethylamine
CID 80643
2-(2-Methylpropoxy)ethanamine
CID 18672803
2-Ethoxypropane-1,3-diamine
CID 25198369
2-Methoxypropane-1,3-diamine
CID 9911138
2-Methoxypropan-1-amine hydrochloride
CID 17178035
(2-Methoxybutyl)amine hydrochloride
CID 17178036
2-Propoxyethan-1-amine hydrochloride
CID 18326446

Frequently Asked Questions

What is the IUPAC name of 2-propoxypropan-1-amine?
The IUPAC name of 2-propoxypropan-1-amine (CID 22450269) is 2-propoxypropan-1-amine.
What is the SMILES notation for 2-propoxypropan-1-amine?
The canonical SMILES for 2-propoxypropan-1-amine is CCCOC(C)CN.
What is the InChIKey of 2-propoxypropan-1-amine?
The InChIKey is ZYSOCEMLXONWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-3-4-8-6(2)5-7/h6H,3-5,7H2,1-2H3.
What are the key properties of 2-propoxypropan-1-amine?
2-propoxypropan-1-amine has a molecular weight of 117.19 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxypropan-1-amine is sourced from PubChem (CID 22450269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).