N-methyl-1-(oxolan-3-yl)pent-3-yn-1-amine

C10H17NO — CID 65330413

IUPACN-methyl-1-(oxolan-3-yl)pent-3-yn-1-amine
SMILESCC#CCC(NC)C1CCOC1
InChIInChI=1S/C10H17NO/c1-3-4-5-10(11-2)9-6-7-12-8-9/h9-11H,5-8H2,1-2H3
InChIKeyWJOHBVQJLJCLCT-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.02
Rot. Bonds3

About N-methyl-1-(oxolan-3-yl)pent-3-yn-1-amine

N-methyl-1-(oxolan-3-yl)pent-3-yn-1-amine (PubChem CID 65330413) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)pent-3-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)pent-3-yn-1-amine
PubChem CID65330413
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-methyl-1-(oxolan-3-yl)pent-3-yn-1-amine
SMILESCC#CCC(NC)C1CCOC1
InChIInChI=1S/C10H17NO/c1-3-4-5-10(11-2)9-6-7-12-8-9/h9-11H,5-8H2,1-2H3
InChIKeyWJOHBVQJLJCLCT-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 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 ≤ 51.02
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

N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine
CID 63564188
3-ethyl-N-methyl-1-(oxolan-3-yl)pentan-1-amine
CID 82923243
2-(3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 63563049
N-methyl-1-(oxolan-3-yl)-2-propylsulfanylethanamine
CID 65129261
2-(cyclopentylmethylsulfanyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104755768
N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxolan-3-yl)ethanamine
CID 113448314
N-methyl-1-(oxolan-3-yl)-2-(oxolan-3-ylmethoxy)ethanamine
CID 104749257
1-(oxolan-3-yl)hex-4-yn-2-ylhydrazine
CID 105266017
N-methyl-2-(2-methylbutan-2-yloxy)-1-(oxolan-3-yl)ethanamine
CID 104748957
N-methyl-2-(4-methylcyclohexyl)oxy-1-(oxolan-3-yl)ethanamine
CID 113448579
2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104749761
N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745169

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)pent-3-yn-1-amine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)pent-3-yn-1-amine (CID 65330413) is N-methyl-1-(oxolan-3-yl)pent-3-yn-1-amine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)pent-3-yn-1-amine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)pent-3-yn-1-amine is CC#CCC(NC)C1CCOC1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)pent-3-yn-1-amine?
The InChIKey is WJOHBVQJLJCLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-5-10(11-2)9-6-7-12-8-9/h9-11H,5-8H2,1-2H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)pent-3-yn-1-amine?
N-methyl-1-(oxolan-3-yl)pent-3-yn-1-amine has a molecular weight of 167.25 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)pent-3-yn-1-amine is sourced from PubChem (CID 65330413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).