N-[2-(oxolan-2-ylmethoxy)ethyl]prop-2-yn-1-amine

C10H17NO2 — CID 62572652

IUPACN-[2-(oxolan-2-ylmethoxy)ethyl]prop-2-yn-1-amine
SMILESC#CCNCCOCC1CCCO1
InChIInChI=1S/C10H17NO2/c1-2-5-11-6-8-12-9-10-4-3-7-13-10/h1,10-11H,3-9H2
InChIKeyXKTHAOQACVFJRI-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.40
Rot. Bonds6

About N-[2-(oxolan-2-ylmethoxy)ethyl]prop-2-yn-1-amine

N-[2-(oxolan-2-ylmethoxy)ethyl]prop-2-yn-1-amine (PubChem CID 62572652) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[2-(oxolan-2-ylmethoxy)ethyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[2-(oxolan-2-ylmethoxy)ethyl]prop-2-yn-1-amine
PubChem CID62572652
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-[2-(oxolan-2-ylmethoxy)ethyl]prop-2-yn-1-amine
SMILESC#CCNCCOCC1CCCO1
InChIInChI=1S/C10H17NO2/c1-2-5-11-6-8-12-9-10-4-3-7-13-10/h1,10-11H,3-9H2
InChIKeyXKTHAOQACVFJRI-UHFFFAOYSA-N
XLogP0.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.40
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-(oxolan-2-yl)ethyl]prop-2-yn-1-amine
CID 62141075
2-methoxy-N-[2-(oxan-2-ylmethoxy)ethyl]ethanamine
CID 62570787
2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine
CID 62572497
N',N'-diethyl-N-[2-(oxolan-2-ylmethoxy)ethyl]ethane-1,2-diamine
CID 62573118
N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 62567695
oxolan-2-ylmethyl 2-(prop-2-ynylamino)acetate
CID 79274543
N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862
N-(2-methoxyethyl)-4-(oxan-2-ylmethoxy)butan-1-amine
CID 62565418
N-(1-cyclopropylethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43205697
N-[2-(oxolan-2-ylmethoxy)ethyl]butan-2-amine
CID 62572646
2-[2-(2-methoxyethoxy)ethoxymethyl]oxolane
CID 157159519
(2S)-2-(prop-2-ynoxymethyl)oxane
CID 175331724

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-ylmethoxy)ethyl]prop-2-yn-1-amine?
The IUPAC name of N-[2-(oxolan-2-ylmethoxy)ethyl]prop-2-yn-1-amine (CID 62572652) is N-[2-(oxolan-2-ylmethoxy)ethyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[2-(oxolan-2-ylmethoxy)ethyl]prop-2-yn-1-amine?
The canonical SMILES for N-[2-(oxolan-2-ylmethoxy)ethyl]prop-2-yn-1-amine is C#CCNCCOCC1CCCO1.
What is the InChIKey of N-[2-(oxolan-2-ylmethoxy)ethyl]prop-2-yn-1-amine?
The InChIKey is XKTHAOQACVFJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-5-11-6-8-12-9-10-4-3-7-13-10/h1,10-11H,3-9H2.
What are the key properties of N-[2-(oxolan-2-ylmethoxy)ethyl]prop-2-yn-1-amine?
N-[2-(oxolan-2-ylmethoxy)ethyl]prop-2-yn-1-amine has a molecular weight of 183.25 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-ylmethoxy)ethyl]prop-2-yn-1-amine is sourced from PubChem (CID 62572652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).