(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-N-methylpropan-1-amine

C8H15NO — CID 143608911

IUPAC(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-N-methylpropan-1-amine
SMILESCNC[C@H](C)[C@@H]1C=CCO1
InChIInChI=1S/C8H15NO/c1-7(6-9-2)8-4-3-5-10-8/h3-4,7-9H,5-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyHRUAEJVYANXMCR-YUMQZZPRSA-N
MW141.21 g/mol
LogP0.80
Rot. Bonds3

About (2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-N-methylpropan-1-amine

(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-N-methylpropan-1-amine (PubChem CID 143608911) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-N-methylpropan-1-amine
PubChem CID143608911
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-N-methylpropan-1-amine
SMILESCNC[C@H](C)[C@@H]1C=CCO1
InChIInChI=1S/C8H15NO/c1-7(6-9-2)8-4-3-5-10-8/h3-4,7-9H,5-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyHRUAEJVYANXMCR-YUMQZZPRSA-N
XLogP0.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]propan-1-amine
CID 55290582
(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]propan-1-amine
CID 58208612
2-(2,5-Dihydrofuran-2-yl)propan-1-amine
CID 67048587
2-[(2S)-2,5-dihydrofuran-2-yl]propan-1-amine
CID 68371974
2-[(2S)-2,5-dihydrofuran-2-yl]-N-methylpropan-1-amine
CID 70304399
N-methyl-3-[(3E)-6-methylhepta-1,3-dien-3-yl]oxypentan-1-amine
CID 88583271
3-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]pyrrolidine
CID 118333610
3-[(E)-3-methoxyprop-1-enyl]pyrrolidine
CID 118335850
(2S)-2-[(2R)-2,5-dihydrofuran-2-yl]propan-1-amine
CID 123578504
(Z)-6-methoxy-N,3,6-trimethylhept-4-en-1-amine
CID 163896289
(2S,3R)-3-[(Z)-hex-4-en-3-yl]oxy-2-methylbutan-1-amine
CID 163972019
N-[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]propyl]thiohydroxylamine
CID 164071258

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-N-methylpropan-1-amine?
The IUPAC name of (2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-N-methylpropan-1-amine (CID 143608911) is (2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for (2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for (2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-N-methylpropan-1-amine is CNC[C@H](C)[C@@H]1C=CCO1.
What is the InChIKey of (2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-N-methylpropan-1-amine?
The InChIKey is HRUAEJVYANXMCR-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(6-9-2)8-4-3-5-10-8/h3-4,7-9H,5-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-N-methylpropan-1-amine?
(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-N-methylpropan-1-amine has a molecular weight of 141.21 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 143608911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).