N-methyl-3-(oxolan-2-yl)prop-2-yn-1-amine

C8H13NO — CID 117265086

IUPACN-methyl-3-(oxolan-2-yl)prop-2-yn-1-amine
SMILESCNCC#CC1CCCO1
InChIInChI=1S/C8H13NO/c1-9-6-2-4-8-5-3-7-10-8/h8-9H,3,5-7H2,1H3
InChIKeyYUMAOPVPVKTWAS-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.39
Rot. Bonds1

About N-methyl-3-(oxolan-2-yl)prop-2-yn-1-amine

N-methyl-3-(oxolan-2-yl)prop-2-yn-1-amine (PubChem CID 117265086) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-methyl-3-(oxolan-2-yl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-methyl-3-(oxolan-2-yl)prop-2-yn-1-amine
PubChem CID117265086
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-methyl-3-(oxolan-2-yl)prop-2-yn-1-amine
SMILESCNCC#CC1CCCO1
InChIInChI=1S/C8H13NO/c1-9-6-2-4-8-5-3-7-10-8/h8-9H,3,5-7H2,1H3
InChIKeyYUMAOPVPVKTWAS-UHFFFAOYSA-N
XLogP0.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.39
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

2-(4-methylpent-1-ynyl)oxolane
CID 171837424
2-oct-1-ynyloxolane
CID 15274342
(2S)-4-[(2S)-oxolan-2-yl]but-3-yn-2-ol
CID 124706731
2-(oxolan-2-yl)ethynyl-tri(propan-2-yl)silane
CID 15362352
(2S)-oxolane-2-carbonitrile;(2R)-oxolane-2-carbonitrile
CID 159887703
2-(3-methylbut-1-ynyl)oxane
CID 164769356
3,5-dimethyl-N-[3-(oxan-2-yl)prop-2-ynyl]pyridine-2-carboxamide
CID 138022277
ethane;N-methyl-1-(oxolan-2-yl)methanamine
CID 91079378
N-methyl-1-[(2R)-oxolan-2-yl]methanamine;molecular hydrogen
CID 142806903
2-[2-(2-ethylphenyl)ethynyl]oxolane
CID 102141444
1-(methylamino)-2-(oxolan-2-yl)propan-2-ol
CID 131118863
1-[4-[2-(oxolan-2-yl)ethynyl]phenyl]ethanone
CID 102141437

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(oxolan-2-yl)prop-2-yn-1-amine?
The IUPAC name of N-methyl-3-(oxolan-2-yl)prop-2-yn-1-amine (CID 117265086) is N-methyl-3-(oxolan-2-yl)prop-2-yn-1-amine.
What is the SMILES notation for N-methyl-3-(oxolan-2-yl)prop-2-yn-1-amine?
The canonical SMILES for N-methyl-3-(oxolan-2-yl)prop-2-yn-1-amine is CNCC#CC1CCCO1.
What is the InChIKey of N-methyl-3-(oxolan-2-yl)prop-2-yn-1-amine?
The InChIKey is YUMAOPVPVKTWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-9-6-2-4-8-5-3-7-10-8/h8-9H,3,5-7H2,1H3.
What are the key properties of N-methyl-3-(oxolan-2-yl)prop-2-yn-1-amine?
N-methyl-3-(oxolan-2-yl)prop-2-yn-1-amine has a molecular weight of 139.20 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(oxolan-2-yl)prop-2-yn-1-amine is sourced from PubChem (CID 117265086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).