N-ethyl-1-(oxolan-2-yl)but-3-yn-1-amine

C10H17NO — CID 65328587

IUPACN-ethyl-1-(oxolan-2-yl)but-3-yn-1-amine
SMILESC#CCC(NCC)C1CCCO1
InChIInChI=1S/C10H17NO/c1-3-6-9(11-4-2)10-7-5-8-12-10/h1,9-11H,4-8H2,2H3
InChIKeyYSIXRSGANTYJRW-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.17
Rot. Bonds4

About N-ethyl-1-(oxolan-2-yl)but-3-yn-1-amine

N-ethyl-1-(oxolan-2-yl)but-3-yn-1-amine (PubChem CID 65328587) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-ethyl-1-(oxolan-2-yl)but-3-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(oxolan-2-yl)but-3-yn-1-amine
PubChem CID65328587
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-ethyl-1-(oxolan-2-yl)but-3-yn-1-amine
SMILESC#CCC(NCC)C1CCCO1
InChIInChI=1S/C10H17NO/c1-3-6-9(11-4-2)10-7-5-8-12-10/h1,9-11H,4-8H2,2H3
InChIKeyYSIXRSGANTYJRW-UHFFFAOYSA-N
XLogP1.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-1-(oxolan-2-yl)but-3-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(ethylamino)-2-(oxolan-2-yl)ethanol
CID 82838374
ethyl 3-(ethylamino)-3-(oxolan-2-yl)propanoate
CID 82837469
N-ethyl-1-(3-methylcyclopentyl)but-3-yn-1-amine
CID 65414993
2-(3,5-dimethylphenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 65328912
N-ethyl-3-methyl-1-(oxan-2-yl)but-3-en-1-amine
CID 105004067
2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 61064439
N-ethyl-1-(4-methylcyclohexyl)but-3-yn-1-amine
CID 62233351
N-ethyl-1-(4-ethylcyclohexyl)but-3-yn-1-amine
CID 65394787
2-(5-bromothiophen-2-yl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 65328636
N-ethyl-1-(3-ethylcyclohexyl)but-3-yn-1-amine
CID 65412723
1-(4-methylmorpholin-2-yl)-N-propylbut-3-yn-1-amine
CID 79093470
N-[(3,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 65328304

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxolan-2-yl)but-3-yn-1-amine?
The IUPAC name of N-ethyl-1-(oxolan-2-yl)but-3-yn-1-amine (CID 65328587) is N-ethyl-1-(oxolan-2-yl)but-3-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(oxolan-2-yl)but-3-yn-1-amine?
The canonical SMILES for N-ethyl-1-(oxolan-2-yl)but-3-yn-1-amine is C#CCC(NCC)C1CCCO1.
What is the InChIKey of N-ethyl-1-(oxolan-2-yl)but-3-yn-1-amine?
The InChIKey is YSIXRSGANTYJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-6-9(11-4-2)10-7-5-8-12-10/h1,9-11H,4-8H2,2H3.
What are the key properties of N-ethyl-1-(oxolan-2-yl)but-3-yn-1-amine?
N-ethyl-1-(oxolan-2-yl)but-3-yn-1-amine has a molecular weight of 167.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxolan-2-yl)but-3-yn-1-amine is sourced from PubChem (CID 65328587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).