N-[2-(3-methoxypropoxy)ethyl]but-2-yn-1-amine

C10H19NO2 — CID 103179449

IUPACN-[2-(3-methoxypropoxy)ethyl]but-2-yn-1-amine
SMILESCC#CCNCCOCCCOC
InChIInChI=1S/C10H19NO2/c1-3-4-6-11-7-10-13-9-5-8-12-2/h11H,5-10H2,1-2H3
InChIKeyOQLZNBUDLSXCGJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.65
Rot. Bonds8

About N-[2-(3-methoxypropoxy)ethyl]but-2-yn-1-amine

N-[2-(3-methoxypropoxy)ethyl]but-2-yn-1-amine (PubChem CID 103179449) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)ethyl]but-2-yn-1-amine.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)ethyl]but-2-yn-1-amine
PubChem CID103179449
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-[2-(3-methoxypropoxy)ethyl]but-2-yn-1-amine
SMILESCC#CCNCCOCCCOC
InChIInChI=1S/C10H19NO2/c1-3-4-6-11-7-10-13-9-5-8-12-2/h11H,5-10H2,1-2H3
InChIKeyOQLZNBUDLSXCGJ-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-bromoethyl)-2-(3-methoxypropoxy)ethanamine
CID 103184074
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
N-[3-(2-methoxyethoxy)propyl]pent-3-yn-1-amine
CID 103409708
3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 106306027
N-[2-(3-methoxypropoxy)ethyl]prop-2-en-1-amine
CID 62566842
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
2-[2-(4-methoxybutoxy)ethylamino]ethanol
CID 150215705
1-[2-(3-methoxypropoxy)ethylamino]-2-methylpropan-2-ol
CID 103179086
2-chloro-N-[2-(3-methoxypropoxy)ethyl]prop-2-en-1-amine
CID 103179451
6-iodo-N-[2-(3-methoxypropoxy)ethyl]hexan-1-amine
CID 107844873
2-(3-methoxypropoxy)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 103179188
N-ethyl-3-(3-methoxypropoxy)propan-1-amine
CID 62442625

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)ethyl]but-2-yn-1-amine?
The IUPAC name of N-[2-(3-methoxypropoxy)ethyl]but-2-yn-1-amine (CID 103179449) is N-[2-(3-methoxypropoxy)ethyl]but-2-yn-1-amine.
What is the SMILES notation for N-[2-(3-methoxypropoxy)ethyl]but-2-yn-1-amine?
The canonical SMILES for N-[2-(3-methoxypropoxy)ethyl]but-2-yn-1-amine is CC#CCNCCOCCCOC.
What is the InChIKey of N-[2-(3-methoxypropoxy)ethyl]but-2-yn-1-amine?
The InChIKey is OQLZNBUDLSXCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-4-6-11-7-10-13-9-5-8-12-2/h11H,5-10H2,1-2H3.
What are the key properties of N-[2-(3-methoxypropoxy)ethyl]but-2-yn-1-amine?
N-[2-(3-methoxypropoxy)ethyl]but-2-yn-1-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-2-yn-1-amine is sourced from PubChem (CID 103179449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).