methyl-[(1R,2S)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropyl]azanide

C15H23N2- — CID 87106535

IUPACmethyl-[(1R,2S)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropyl]azanide
SMILESC[N-][C@@H](c1ccccc1)[C@@H](C)CN1CCCC1
InChIInChI=1S/C15H23N2/c1-13(12-17-10-6-7-11-17)15(16-2)14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3/q-1/t13-,15+/m0/s1
InChIKeySEAVNIRLWKVEPJ-DZGCQCFKSA-N
MW231.36 g/mol
LogP3.46
Rot. Bonds5

About methyl-[(1R,2S)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropyl]azanide

methyl-[(1R,2S)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropyl]azanide (PubChem CID 87106535) has the molecular formula C15H23N2- and a molecular weight of 231.36 g/mol. Its IUPAC name is methyl-[(1R,2S)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropyl]azanide.

Molecular Properties

Compound Namemethyl-[(1R,2S)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropyl]azanide
PubChem CID87106535
Molecular FormulaC15H23N2-
Molecular Weight231.36 g/mol
Exact Mass231.19
IUPAC Namemethyl-[(1R,2S)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropyl]azanide
SMILESC[N-][C@@H](c1ccccc1)[C@@H](C)CN1CCCC1
InChIInChI=1S/C15H23N2/c1-13(12-17-10-6-7-11-17)15(16-2)14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3/q-1/t13-,15+/m0/s1
InChIKeySEAVNIRLWKVEPJ-DZGCQCFKSA-N
XLogP3.46
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methyl-[(1R,2S)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropyl]azanide?
The IUPAC name of methyl-[(1R,2S)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropyl]azanide (CID 87106535) is methyl-[(1R,2S)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropyl]azanide.
What is the SMILES notation for methyl-[(1R,2S)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropyl]azanide?
The canonical SMILES for methyl-[(1R,2S)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropyl]azanide is C[N-][C@@H](c1ccccc1)[C@@H](C)CN1CCCC1.
What is the InChIKey of methyl-[(1R,2S)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropyl]azanide?
The InChIKey is SEAVNIRLWKVEPJ-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H23N2/c1-13(12-17-10-6-7-11-17)15(16-2)14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3/q-1/t13-,15+/m0/s1.
What are the key properties of methyl-[(1R,2S)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropyl]azanide?
methyl-[(1R,2S)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropyl]azanide has a molecular weight of 231.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(1R,2S)-2-methyl-1-phenyl-3-pyrrolidin-1-ylpropyl]azanide is sourced from PubChem (CID 87106535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).