1-(5-methyloxolan-3-yl)-N-propylpent-4-yn-1-amine

C13H23NO — CID 115859664

IUPAC1-(5-methyloxolan-3-yl)-N-propylpent-4-yn-1-amine
SMILESC#CCCC(NCCC)C1COC(C)C1
InChIInChI=1S/C13H23NO/c1-4-6-7-13(14-8-5-2)12-9-11(3)15-10-12/h1,11-14H,5-10H2,2-3H3
InChIKeySNFFQNZWODTYBV-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.19
Rot. Bonds6

About 1-(5-methyloxolan-3-yl)-N-propylpent-4-yn-1-amine

1-(5-methyloxolan-3-yl)-N-propylpent-4-yn-1-amine (PubChem CID 115859664) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(5-methyloxolan-3-yl)-N-propylpent-4-yn-1-amine.

Molecular Properties

Compound Name1-(5-methyloxolan-3-yl)-N-propylpent-4-yn-1-amine
PubChem CID115859664
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(5-methyloxolan-3-yl)-N-propylpent-4-yn-1-amine
SMILESC#CCCC(NCCC)C1COC(C)C1
InChIInChI=1S/C13H23NO/c1-4-6-7-13(14-8-5-2)12-9-11(3)15-10-12/h1,11-14H,5-10H2,2-3H3
InChIKeySNFFQNZWODTYBV-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(5-methyloxolan-3-yl)-N-propylpent-4-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

N-[1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105013507
1-(4-ethylcyclohexyl)-N-propylpent-4-yn-1-amine
CID 65395607
1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103030028
N-[1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 114825893
N-[1-(5-methyloxolan-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 114825972
N-[2-(2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 114825874
N-[1-(5-methyloxolan-3-yl)-2-(4-nitrophenyl)ethyl]propan-1-amine
CID 114825861
N-[2-(4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 114825858
N-[2-(5-chloro-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 103052831
N-[cyclohexyl-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114981755
1-(5-methyloxolan-3-yl)pentylhydrazine
CID 105293859
N-propyl-1-(thiolan-2-yl)pent-4-yn-1-amine
CID 80627873

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-3-yl)-N-propylpent-4-yn-1-amine?
The IUPAC name of 1-(5-methyloxolan-3-yl)-N-propylpent-4-yn-1-amine (CID 115859664) is 1-(5-methyloxolan-3-yl)-N-propylpent-4-yn-1-amine.
What is the SMILES notation for 1-(5-methyloxolan-3-yl)-N-propylpent-4-yn-1-amine?
The canonical SMILES for 1-(5-methyloxolan-3-yl)-N-propylpent-4-yn-1-amine is C#CCCC(NCCC)C1COC(C)C1.
What is the InChIKey of 1-(5-methyloxolan-3-yl)-N-propylpent-4-yn-1-amine?
The InChIKey is SNFFQNZWODTYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-6-7-13(14-8-5-2)12-9-11(3)15-10-12/h1,11-14H,5-10H2,2-3H3.
What are the key properties of 1-(5-methyloxolan-3-yl)-N-propylpent-4-yn-1-amine?
1-(5-methyloxolan-3-yl)-N-propylpent-4-yn-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-3-yl)-N-propylpent-4-yn-1-amine is sourced from PubChem (CID 115859664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).