1-(2-methyloxolan-3-yl)pent-4-yn-1-amine

C10H17NO — CID 115859572

IUPAC1-(2-methyloxolan-3-yl)pent-4-yn-1-amine
SMILESC#CCCC(N)C1CCOC1C
InChIInChI=1S/C10H17NO/c1-3-4-5-10(11)9-6-7-12-8(9)2/h1,8-10H,4-7,11H2,2H3
InChIKeyDHDZDFHULKUOEH-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.15
Rot. Bonds3

About 1-(2-methyloxolan-3-yl)pent-4-yn-1-amine

1-(2-methyloxolan-3-yl)pent-4-yn-1-amine (PubChem CID 115859572) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(2-methyloxolan-3-yl)pent-4-yn-1-amine.

Molecular Properties

Compound Name1-(2-methyloxolan-3-yl)pent-4-yn-1-amine
PubChem CID115859572
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(2-methyloxolan-3-yl)pent-4-yn-1-amine
SMILESC#CCCC(N)C1CCOC1C
InChIInChI=1S/C10H17NO/c1-3-4-5-10(11)9-6-7-12-8(9)2/h1,8-10H,4-7,11H2,2H3
InChIKeyDHDZDFHULKUOEH-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methyloxolan-3-yl)decan-1-amine
CID 115831763
1-(2-methylcyclopropyl)pent-4-yn-1-amine
CID 65422769
3-ethyl-1-(2-methyloxolan-3-yl)pentan-1-amine
CID 105028412
2-cyclobutyl-1-(2-methyloxolan-3-yl)ethanamine
CID 115863835
1-(2-methyloxolan-3-yl)-3-thiophen-2-ylpropan-1-amine
CID 115861130
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methyloxolan-3-yl)ethanamine
CID 105019956
3-(difluoromethyl)-2-methyloxolane
CID 171762048
1-(2-methyloxolan-3-yl)butylhydrazine
CID 105282218
1-cyclooctylpent-4-yn-1-amine
CID 80603767
[cyclopropyl-(2-methyloxolan-3-yl)methyl]hydrazine
CID 105314526
1-(2-methyloxolan-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997936
1-(2-methyloxolan-3-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064153

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxolan-3-yl)pent-4-yn-1-amine?
The IUPAC name of 1-(2-methyloxolan-3-yl)pent-4-yn-1-amine (CID 115859572) is 1-(2-methyloxolan-3-yl)pent-4-yn-1-amine.
What is the SMILES notation for 1-(2-methyloxolan-3-yl)pent-4-yn-1-amine?
The canonical SMILES for 1-(2-methyloxolan-3-yl)pent-4-yn-1-amine is C#CCCC(N)C1CCOC1C.
What is the InChIKey of 1-(2-methyloxolan-3-yl)pent-4-yn-1-amine?
The InChIKey is DHDZDFHULKUOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-5-10(11)9-6-7-12-8(9)2/h1,8-10H,4-7,11H2,2H3.
What are the key properties of 1-(2-methyloxolan-3-yl)pent-4-yn-1-amine?
1-(2-methyloxolan-3-yl)pent-4-yn-1-amine has a molecular weight of 167.25 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxolan-3-yl)pent-4-yn-1-amine is sourced from PubChem (CID 115859572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).