N-[2-(3-methoxypropoxy)ethyl]but-3-yn-2-amine

C10H19NO2 — CID 103179557

IUPACN-[2-(3-methoxypropoxy)ethyl]but-3-yn-2-amine
SMILESC#CC(C)NCCOCCCOC
InChIInChI=1S/C10H19NO2/c1-4-10(2)11-6-9-13-8-5-7-12-3/h1,10-11H,5-9H2,2-3H3
InChIKeyROSFTBAYUDQKAK-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.65
Rot. Bonds8

About N-[2-(3-methoxypropoxy)ethyl]but-3-yn-2-amine

N-[2-(3-methoxypropoxy)ethyl]but-3-yn-2-amine (PubChem CID 103179557) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)ethyl]but-3-yn-2-amine.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)ethyl]but-3-yn-2-amine
PubChem CID103179557
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-[2-(3-methoxypropoxy)ethyl]but-3-yn-2-amine
SMILESC#CC(C)NCCOCCCOC
InChIInChI=1S/C10H19NO2/c1-4-10(2)11-6-9-13-8-5-7-12-3/h1,10-11H,5-9H2,2-3H3
InChIKeyROSFTBAYUDQKAK-UHFFFAOYSA-N
XLogP0.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxypropoxy)ethyl]pent-1-yn-3-amine
CID 106229065
N-[2-(2-methylprop-2-enoxy)ethyl]but-3-yn-2-amine
CID 114467532
(1S)-1-cycloheptyl-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103179279
4-chloro-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine
CID 103184040
N-[2-(3-methoxypropoxy)ethyl]hexan-2-amine
CID 103178889
(1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 103179242
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
N-[2-(3-methoxypropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 103178774
1-N,1-N-diethyl-2-N-[2-(3-methoxypropoxy)ethyl]propane-1,2-diamine
CID 103178871
2-(3-methoxypropoxy)-N-(2-methylpropoxy)ethanamine
CID 103179336
N-cyclopropyl-2-[2-(3-methoxypropoxy)ethylamino]propanamide
CID 103179410
N-[2-(4-methoxyphenoxy)ethyl]but-3-yn-2-amine
CID 114416566

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)ethyl]but-3-yn-2-amine?
The IUPAC name of N-[2-(3-methoxypropoxy)ethyl]but-3-yn-2-amine (CID 103179557) is N-[2-(3-methoxypropoxy)ethyl]but-3-yn-2-amine.
What is the SMILES notation for N-[2-(3-methoxypropoxy)ethyl]but-3-yn-2-amine?
The canonical SMILES for N-[2-(3-methoxypropoxy)ethyl]but-3-yn-2-amine is C#CC(C)NCCOCCCOC.
What is the InChIKey of N-[2-(3-methoxypropoxy)ethyl]but-3-yn-2-amine?
The InChIKey is ROSFTBAYUDQKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-10(2)11-6-9-13-8-5-7-12-3/h1,10-11H,5-9H2,2-3H3.
What are the key properties of N-[2-(3-methoxypropoxy)ethyl]but-3-yn-2-amine?
N-[2-(3-methoxypropoxy)ethyl]but-3-yn-2-amine has a molecular weight of 185.27 g/mol, XLogP of 0.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropoxy)ethyl]but-3-yn-2-amine is sourced from PubChem (CID 103179557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).