(2R,5S)-2,5-dimethoxy-N-propylcyclopent-3-en-1-amine

C10H19NO2 — CID 10511736

IUPAC(2R,5S)-2,5-dimethoxy-N-propylcyclopent-3-en-1-amine
SMILESCCCNC1[C@@H](OC)C=C[C@H]1OC
InChIInChI=1S/C10H19NO2/c1-4-7-11-10-8(12-2)5-6-9(10)13-3/h5-6,8-11H,4,7H2,1-3H3/t8-,9+,10?
InChIKeyZPZUOWFBGFRCGE-ULKQDVFKSA-N
MW185.27 g/mol
LogP0.95
Rot. Bonds5

About (2R,5S)-2,5-dimethoxy-N-propylcyclopent-3-en-1-amine

(2R,5S)-2,5-dimethoxy-N-propylcyclopent-3-en-1-amine (PubChem CID 10511736) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2R,5S)-2,5-dimethoxy-N-propylcyclopent-3-en-1-amine.

Molecular Properties

Compound Name(2R,5S)-2,5-dimethoxy-N-propylcyclopent-3-en-1-amine
PubChem CID10511736
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2R,5S)-2,5-dimethoxy-N-propylcyclopent-3-en-1-amine
SMILESCCCNC1[C@@H](OC)C=C[C@H]1OC
InChIInChI=1S/C10H19NO2/c1-4-7-11-10-8(12-2)5-6-9(10)13-3/h5-6,8-11H,4,7H2,1-3H3/t8-,9+,10?
InChIKeyZPZUOWFBGFRCGE-ULKQDVFKSA-N
XLogP0.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1S,4R,5S)-4-methoxy-5-(propylamino)cyclopent-2-en-1-yl] acetate
CID 10536548
CID 10560584
CID 10560584
(1R,4S,5S)-5-(2-hydroxyethylamino)-4-methoxycyclopent-2-en-1-ol
CID 21722759
(E,5R)-5,7-dimethoxy-6-(methylamino)hept-3-enal
CID 58730200
(E,4R)-4,6-dimethoxy-5-N-methylhex-2-ene-1,5-diamine
CID 58730214
(E,3R)-1,3,6-trimethoxy-N-methylhex-4-en-2-amine
CID 58730223
(3-Butoxy-1,2,3,6-tetrahydropyridin-2-yl)methanol
CID 118146686
(E,2S,3R)-2-(ethylamino)-3-methoxyoctadec-4-en-1-ol
CID 121392060
(Z)-N-[(Z)-pent-3-enyl]-4-propan-2-yloxyhept-5-en-3-amine
CID 126489743
(7E,12Z)-9-methoxy-13-methyl-1-oxa-4-azacyclotetradeca-7,12-diene
CID 144515516
(5Z,7S,8S)-7,8-dimethoxy-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine
CID 170149973
(E,5S)-6-N-ethynyl-5,7-dimethoxy-2-N-methylhept-3-ene-2,6-diamine
CID 173998205

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2,5-dimethoxy-N-propylcyclopent-3-en-1-amine?
The IUPAC name of (2R,5S)-2,5-dimethoxy-N-propylcyclopent-3-en-1-amine (CID 10511736) is (2R,5S)-2,5-dimethoxy-N-propylcyclopent-3-en-1-amine.
What is the SMILES notation for (2R,5S)-2,5-dimethoxy-N-propylcyclopent-3-en-1-amine?
The canonical SMILES for (2R,5S)-2,5-dimethoxy-N-propylcyclopent-3-en-1-amine is CCCNC1[C@@H](OC)C=C[C@H]1OC.
What is the InChIKey of (2R,5S)-2,5-dimethoxy-N-propylcyclopent-3-en-1-amine?
The InChIKey is ZPZUOWFBGFRCGE-ULKQDVFKSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-7-11-10-8(12-2)5-6-9(10)13-3/h5-6,8-11H,4,7H2,1-3H3/t8-,9+,10?.
What are the key properties of (2R,5S)-2,5-dimethoxy-N-propylcyclopent-3-en-1-amine?
(2R,5S)-2,5-dimethoxy-N-propylcyclopent-3-en-1-amine has a molecular weight of 185.27 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2,5-dimethoxy-N-propylcyclopent-3-en-1-amine is sourced from PubChem (CID 10511736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).