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

C11H21NO2 — CID 106229065

IUPACN-[2-(3-methoxypropoxy)ethyl]pent-1-yn-3-amine
SMILESC#CC(CC)NCCOCCCOC
InChIInChI=1S/C11H21NO2/c1-4-11(5-2)12-7-10-14-9-6-8-13-3/h1,11-12H,5-10H2,2-3H3
InChIKeyONZRAXZIOPZNSB-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.04
Rot. Bonds9

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

N-[2-(3-methoxypropoxy)ethyl]pent-1-yn-3-amine (PubChem CID 106229065) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)ethyl]pent-1-yn-3-amine.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)ethyl]pent-1-yn-3-amine
PubChem CID106229065
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-[2-(3-methoxypropoxy)ethyl]pent-1-yn-3-amine
SMILESC#CC(CC)NCCOCCCOC
InChIInChI=1S/C11H21NO2/c1-4-11(5-2)12-7-10-14-9-6-8-13-3/h1,11-12H,5-10H2,2-3H3
InChIKeyONZRAXZIOPZNSB-UHFFFAOYSA-N
XLogP1.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.04
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]but-3-yn-2-amine
CID 103179557
N-butylpent-1-yn-3-amine
CID 57076598
N-[2-(3-methoxypropoxy)ethyl]hexan-2-amine
CID 103178889
N-pent-1-yn-3-ylheptan-1-amine
CID 106224467
N-[2-(3-methylbutoxy)ethyl]hex-1-yn-3-amine
CID 106229882
N-ethyl-3-(3-methoxypropoxy)propan-1-amine
CID 62442625
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
N-[3-(2-methoxyethoxy)propyl]pentan-3-amine
CID 28720947
1-N,1-N-diethyl-2-N-[2-(3-methoxypropoxy)ethyl]propane-1,2-diamine
CID 103178871
N-(2-butoxyethyl)pentan-3-amine
CID 61168899
N-[4-(2-methoxyethoxy)butyl]pentan-3-amine
CID 115715449
4-chloro-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine
CID 103184040

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)ethyl]pent-1-yn-3-amine?
The IUPAC name of N-[2-(3-methoxypropoxy)ethyl]pent-1-yn-3-amine (CID 106229065) is N-[2-(3-methoxypropoxy)ethyl]pent-1-yn-3-amine.
What is the SMILES notation for N-[2-(3-methoxypropoxy)ethyl]pent-1-yn-3-amine?
The canonical SMILES for N-[2-(3-methoxypropoxy)ethyl]pent-1-yn-3-amine is C#CC(CC)NCCOCCCOC.
What is the InChIKey of N-[2-(3-methoxypropoxy)ethyl]pent-1-yn-3-amine?
The InChIKey is ONZRAXZIOPZNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-11(5-2)12-7-10-14-9-6-8-13-3/h1,11-12H,5-10H2,2-3H3.
What are the key properties of N-[2-(3-methoxypropoxy)ethyl]pent-1-yn-3-amine?
N-[2-(3-methoxypropoxy)ethyl]pent-1-yn-3-amine has a molecular weight of 199.29 g/mol, XLogP of 1.04, 9 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]pent-1-yn-3-amine is sourced from PubChem (CID 106229065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).