N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine

C15H23N3O2 — CID 154800917

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine
SMILESCn1ccnc1[C@@H]1OCC[C@H]1CNCC1=CCCOC1
InChIInChI=1S/C15H23N3O2/c1-18-6-5-17-15(18)14-13(4-8-20-14)10-16-9-12-3-2-7-19-11-12/h3,5-6,13-14,16H,2,4,7-11H2,1H3/t13-,14+/m0/s1
InChIKeyOCSRFLITSFHSLF-UONOGXRCSA-N
MW277.37 g/mol
LogP1.43
Rot. Bonds5

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine (PubChem CID 154800917) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine
PubChem CID154800917
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine
SMILESCn1ccnc1[C@@H]1OCC[C@H]1CNCC1=CCCOC1
InChIInChI=1S/C15H23N3O2/c1-18-6-5-17-15(18)14-13(4-8-20-14)10-16-9-12-3-2-7-19-11-12/h3,5-6,13-14,16H,2,4,7-11H2,1H3/t13-,14+/m0/s1
InChIKeyOCSRFLITSFHSLF-UONOGXRCSA-N
XLogP1.43
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine
CID 154761428
1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]methanamine
CID 154761426
N-[(5-bromofuran-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine
CID 167805309
N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine
CID 154761202
1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine
CID 154802200
N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine
CID 154762348
N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]-1-quinolin-2-ylethanamine
CID 167805099
2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide
CID 154794496
(2S,3S)-N-(2H-chromen-3-ylmethyl)-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 167859869
4-N-cyclopropyl-6-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyrimidine-4,6-diamine
CID 154761150
(2R,3S)-2-(1-methylimidazol-2-yl)oxolane-3-carboxylic acid
CID 124709720
N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115674359

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine (CID 154800917) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine is Cn1ccnc1[C@@H]1OCC[C@H]1CNCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine?
The InChIKey is OCSRFLITSFHSLF-UONOGXRCSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18-6-5-17-15(18)14-13(4-8-20-14)10-16-9-12-3-2-7-19-11-12/h3,5-6,13-14,16H,2,4,7-11H2,1H3/t13-,14+/m0/s1.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine has a molecular weight of 277.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine is sourced from PubChem (CID 154800917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).