3-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3-phenylpyrrolidine

C17H26N2 — CID 120903903

IUPAC3-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3-phenylpyrrolidine
SMILESCC1(CN2CCC(C)(c3ccccc3)C2)CCNC1
InChIInChI=1S/C17H26N2/c1-16(8-10-18-12-16)13-19-11-9-17(2,14-19)15-6-4-3-5-7-15/h3-7,18H,8-14H2,1-2H3
InChIKeyVAWRIZJCGRLDRW-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.65
Rot. Bonds3

About 3-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3-phenylpyrrolidine

3-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3-phenylpyrrolidine (PubChem CID 120903903) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3-phenylpyrrolidine.

Molecular Properties

Compound Name3-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3-phenylpyrrolidine
PubChem CID120903903
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name3-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3-phenylpyrrolidine
SMILESCC1(CN2CCC(C)(c3ccccc3)C2)CCNC1
InChIInChI=1S/C17H26N2/c1-16(8-10-18-12-16)13-19-11-9-17(2,14-19)15-6-4-3-5-7-15/h3-7,18H,8-14H2,1-2H3
InChIKeyVAWRIZJCGRLDRW-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole
CID 63143249
3-methyl-3-phenylpyrrolidine
CID 21098616
3,3-difluoro-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120902688
4-(4-chlorophenyl)-4-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120905694
1-ethyl-4-methyl-4-phenylpiperidine
CID 70451148
1-[(2-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
CID 120898158
3,3-dimethyl-1-[(4-phenylpiperidin-4-yl)methyl]piperazine
CID 69035157
1-ethyl-4-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroquinoxaline
CID 120902163
3-benzyl-3-methylpyrrolidine
CID 58254769
5-chloro-2-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 120900285
1-[(3-methylpyrrolidin-3-yl)methyl]-3,3-bis(trifluoromethyl)pyrrolidine;hydrochloride
CID 120903643
4-[(3-methylpyrrolidin-3-yl)methyl]-2-(2-phenylethyl)morpholine
CID 120902311

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3-phenylpyrrolidine?
The IUPAC name of 3-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3-phenylpyrrolidine (CID 120903903) is 3-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3-phenylpyrrolidine.
What is the SMILES notation for 3-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3-phenylpyrrolidine?
The canonical SMILES for 3-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3-phenylpyrrolidine is CC1(CN2CCC(C)(c3ccccc3)C2)CCNC1.
What is the InChIKey of 3-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3-phenylpyrrolidine?
The InChIKey is VAWRIZJCGRLDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-16(8-10-18-12-16)13-19-11-9-17(2,14-19)15-6-4-3-5-7-15/h3-7,18H,8-14H2,1-2H3.
What are the key properties of 3-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3-phenylpyrrolidine?
3-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3-phenylpyrrolidine has a molecular weight of 258.41 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]-3-phenylpyrrolidine is sourced from PubChem (CID 120903903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).