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

C7H13NO — CID 58208612

IUPAC(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]propan-1-amine
SMILESC[C@@H](CN)[C@@H]1C=CCO1
InChIInChI=1S/C7H13NO/c1-6(5-8)7-3-2-4-9-7/h2-3,6-7H,4-5,8H2,1H3/t6-,7-/m0/s1
InChIKeyMJCYCIDKRVXENY-BQBZGAKWSA-N
MW127.19 g/mol
LogP0.54
Rot. Bonds2

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

(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]propan-1-amine (PubChem CID 58208612) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2S)-2-[(2S)-2,5-dihydrofuran-2-yl]propan-1-amine.

Molecular Properties

Compound Name(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]propan-1-amine
PubChem CID58208612
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]propan-1-amine
SMILESC[C@@H](CN)[C@@H]1C=CCO1
InChIInChI=1S/C7H13NO/c1-6(5-8)7-3-2-4-9-7/h2-3,6-7H,4-5,8H2,1H3/t6-,7-/m0/s1
InChIKeyMJCYCIDKRVXENY-BQBZGAKWSA-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

(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoropropan-1-amine
CID 58208591
2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoropropan-1-amine
CID 68371976
2-(2,5-Dihydrofuran-2-yl)-3,3-difluoropropan-1-amine
CID 76702964
(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoropropan-1-amine
CID 130765187
2-[(2R)-2,5-dihydrofuran-2-yl]ethanamine
CID 55285440
(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]propan-1-amine
CID 55290582
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
3-amino-2-[(2S)-2,5-dihydrofuran-2-yl]propan-1-ol
CID 117680703
(2S)-2-[(2R)-2,5-dihydrofuran-2-yl]propan-1-amine
CID 123578504
(5-Ethoxycyclopenta-1,3-dien-1-yl)methanamine
CID 124095719

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2,5-dihydrofuran-2-yl]propan-1-amine?
The IUPAC name of (2S)-2-[(2S)-2,5-dihydrofuran-2-yl]propan-1-amine (CID 58208612) is (2S)-2-[(2S)-2,5-dihydrofuran-2-yl]propan-1-amine.
What is the SMILES notation for (2S)-2-[(2S)-2,5-dihydrofuran-2-yl]propan-1-amine?
The canonical SMILES for (2S)-2-[(2S)-2,5-dihydrofuran-2-yl]propan-1-amine is C[C@@H](CN)[C@@H]1C=CCO1.
What is the InChIKey of (2S)-2-[(2S)-2,5-dihydrofuran-2-yl]propan-1-amine?
The InChIKey is MJCYCIDKRVXENY-BQBZGAKWSA-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/t6-,7-/m0/s1.
What are the key properties of (2S)-2-[(2S)-2,5-dihydrofuran-2-yl]propan-1-amine?
(2S)-2-[(2S)-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 (2S)-2-[(2S)-2,5-dihydrofuran-2-yl]propan-1-amine is sourced from PubChem (CID 58208612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).