(1R)-N-methyl-1-[(2S)-oxolan-2-yl]-1-(4-phenyl-1,3-diazet-2-yl)methanamine

C14H17N3O — CID 155718502

IUPAC(1R)-N-methyl-1-[(2S)-oxolan-2-yl]-1-(4-phenyl-1,3-diazet-2-yl)methanamine
SMILESCN[C@H](C1=NC(c2ccccc2)=N1)[C@@H]1CCCO1
InChIInChI=1S/C14H17N3O/c1-15-12(11-8-5-9-18-11)14-16-13(17-14)10-6-3-2-4-7-10/h2-4,6-7,11-12,15H,5,8-9H2,1H3/t11-,12-/m0/s1
InChIKeyCHPMTDRLAASUML-RYUDHWBXSA-N
MW243.31 g/mol
LogP1.61
Rot. Bonds4

About (1R)-N-methyl-1-[(2S)-oxolan-2-yl]-1-(4-phenyl-1,3-diazet-2-yl)methanamine

(1R)-N-methyl-1-[(2S)-oxolan-2-yl]-1-(4-phenyl-1,3-diazet-2-yl)methanamine (PubChem CID 155718502) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (1R)-N-methyl-1-[(2S)-oxolan-2-yl]-1-(4-phenyl-1,3-diazet-2-yl)methanamine.

Molecular Properties

Compound Name(1R)-N-methyl-1-[(2S)-oxolan-2-yl]-1-(4-phenyl-1,3-diazet-2-yl)methanamine
PubChem CID155718502
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(1R)-N-methyl-1-[(2S)-oxolan-2-yl]-1-(4-phenyl-1,3-diazet-2-yl)methanamine
SMILESCN[C@H](C1=NC(c2ccccc2)=N1)[C@@H]1CCCO1
InChIInChI=1S/C14H17N3O/c1-15-12(11-8-5-9-18-11)14-16-13(17-14)10-6-3-2-4-7-10/h2-4,6-7,11-12,15H,5,8-9H2,1H3/t11-,12-/m0/s1
InChIKeyCHPMTDRLAASUML-RYUDHWBXSA-N
XLogP1.61
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-methyl-1-[(2S)-oxolan-2-yl]-1-(4-phenyl-1,3-diazet-2-yl)methanamine?
The IUPAC name of (1R)-N-methyl-1-[(2S)-oxolan-2-yl]-1-(4-phenyl-1,3-diazet-2-yl)methanamine (CID 155718502) is (1R)-N-methyl-1-[(2S)-oxolan-2-yl]-1-(4-phenyl-1,3-diazet-2-yl)methanamine.
What is the SMILES notation for (1R)-N-methyl-1-[(2S)-oxolan-2-yl]-1-(4-phenyl-1,3-diazet-2-yl)methanamine?
The canonical SMILES for (1R)-N-methyl-1-[(2S)-oxolan-2-yl]-1-(4-phenyl-1,3-diazet-2-yl)methanamine is CN[C@H](C1=NC(c2ccccc2)=N1)[C@@H]1CCCO1.
What is the InChIKey of (1R)-N-methyl-1-[(2S)-oxolan-2-yl]-1-(4-phenyl-1,3-diazet-2-yl)methanamine?
The InChIKey is CHPMTDRLAASUML-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H17N3O/c1-15-12(11-8-5-9-18-11)14-16-13(17-14)10-6-3-2-4-7-10/h2-4,6-7,11-12,15H,5,8-9H2,1H3/t11-,12-/m0/s1.
What are the key properties of (1R)-N-methyl-1-[(2S)-oxolan-2-yl]-1-(4-phenyl-1,3-diazet-2-yl)methanamine?
(1R)-N-methyl-1-[(2S)-oxolan-2-yl]-1-(4-phenyl-1,3-diazet-2-yl)methanamine has a molecular weight of 243.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-1-[(2S)-oxolan-2-yl]-1-(4-phenyl-1,3-diazet-2-yl)methanamine is sourced from PubChem (CID 155718502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).