2-(2,5-dihydrofuran-2-yl)propan-1-amine

C7H13NO — CID 67048587

IUPAC2-(2,5-dihydrofuran-2-yl)propan-1-amine
SMILESCC(CN)C1C=CCO1
InChIInChI=1S/C7H13NO/c1-6(5-8)7-3-2-4-9-7/h2-3,6-7H,4-5,8H2,1H3
InChIKeyMJCYCIDKRVXENY-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.54
Rot. Bonds2

About 2-(2,5-dihydrofuran-2-yl)propan-1-amine

2-(2,5-dihydrofuran-2-yl)propan-1-amine (PubChem CID 67048587) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-(2,5-dihydrofuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2,5-dihydrofuran-2-yl)propan-1-amine
PubChem CID67048587
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-(2,5-dihydrofuran-2-yl)propan-1-amine
SMILESCC(CN)C1C=CCO1
InChIInChI=1S/C7H13NO/c1-6(5-8)7-3-2-4-9-7/h2-3,6-7H,4-5,8H2,1H3
InChIKeyMJCYCIDKRVXENY-UHFFFAOYSA-N
XLogP0.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.54
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

2-(2,5-dihydrofuran-2-yl)propyl methanesulfonate
CID 87249231
[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-hydroxyethyl]azanide;rhenium
CID 148591896
(2R)-2-(1,3-dioxan-2-yl)propan-1-amine
CID 94252080
(3R,3aR,6aS)-6-iodo-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]propan-1-ol
CID 160810990
[(2S)-2,5-dihydrofuran-2-yl]methanamine;ethane;methanol
CID 143862209
(2R)-2-[(1S)-1-prop-2-enoxyprop-2-enyl]-2,5-dihydrofuran
CID 15552511
[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl] carbamate
CID 68511625
2-(2-tert-butylcyclopropyl)propan-1-amine
CID 84650286
2-(2-propan-2-yloxan-4-yl)propan-1-amine
CID 83906955
1-(2,5-dihydrofuran-2-yl)ethanone
CID 175402155
(5S,8R)-8-(3,6-dihydro-2H-pyran-6-yl)-4,5-dimethylnonan-1-ol
CID 138474293
CID 59269554
CID 59269554

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydrofuran-2-yl)propan-1-amine?
The IUPAC name of 2-(2,5-dihydrofuran-2-yl)propan-1-amine (CID 67048587) is 2-(2,5-dihydrofuran-2-yl)propan-1-amine.
What is the SMILES notation for 2-(2,5-dihydrofuran-2-yl)propan-1-amine?
The canonical SMILES for 2-(2,5-dihydrofuran-2-yl)propan-1-amine is CC(CN)C1C=CCO1.
What is the InChIKey of 2-(2,5-dihydrofuran-2-yl)propan-1-amine?
The InChIKey is MJCYCIDKRVXENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(5-8)7-3-2-4-9-7/h2-3,6-7H,4-5,8H2,1H3.
What are the key properties of 2-(2,5-dihydrofuran-2-yl)propan-1-amine?
2-(2,5-dihydrofuran-2-yl)propan-1-amine has a molecular weight of 127.19 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydrofuran-2-yl)propan-1-amine is sourced from PubChem (CID 67048587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).