2-methyl-1-[[4-[(2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methyl]-3-pyrrolidin-1-ylpyrrolidine

C26H42N4 — CID 166201846

IUPAC2-methyl-1-[[4-[(2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methyl]-3-pyrrolidin-1-ylpyrrolidine
SMILESCC1C(N2CCCC2)CCN1Cc1ccc(CN2CCC(N3CCCC3)C2C)cc1
InChIInChI=1S/C26H42N4/c1-21-25(27-13-3-4-14-27)11-17-29(21)19-23-7-9-24(10-8-23)20-30-18-12-26(22(30)2)28-15-5-6-16-28/h7-10,21-22,25-26H,3-6,11-20H2,1-2H3
InChIKeyYKHXJYDUUABBPO-UHFFFAOYSA-N
MW410.65 g/mol
LogP3.80
Rot. Bonds6

About 2-methyl-1-[[4-[(2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methyl]-3-pyrrolidin-1-ylpyrrolidine

2-methyl-1-[[4-[(2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methyl]-3-pyrrolidin-1-ylpyrrolidine (PubChem CID 166201846) has the molecular formula C26H42N4 and a molecular weight of 410.65 g/mol. Its IUPAC name is 2-methyl-1-[[4-[(2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methyl]-3-pyrrolidin-1-ylpyrrolidine.

Molecular Properties

Compound Name2-methyl-1-[[4-[(2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methyl]-3-pyrrolidin-1-ylpyrrolidine
PubChem CID166201846
Molecular FormulaC26H42N4
Molecular Weight410.65 g/mol
Exact Mass410.34
IUPAC Name2-methyl-1-[[4-[(2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methyl]-3-pyrrolidin-1-ylpyrrolidine
SMILESCC1C(N2CCCC2)CCN1Cc1ccc(CN2CCC(N3CCCC3)C2C)cc1
InChIInChI=1S/C26H42N4/c1-21-25(27-13-3-4-14-27)11-17-29(21)19-23-7-9-24(10-8-23)20-30-18-12-26(22(30)2)28-15-5-6-16-28/h7-10,21-22,25-26H,3-6,11-20H2,1-2H3
InChIKeyYKHXJYDUUABBPO-UHFFFAOYSA-N
XLogP3.80
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.65
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-[[4-[(2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methyl]-3-pyrrolidin-1-ylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,8aR)-1-methyl-2-[(4-phenylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 1351332
1-(1-benzyl-2-methylpyrrolidin-3-yl)pyrrole
CID 130559023
(1R,8aR)-2-[(10-chloroanthracen-9-yl)methyl]-1-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 7464266
(1S,8aS)-2-[(2,5-dimethylphenyl)methyl]-1-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 51637608
[4-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]methanol
CID 112631290
1-benzyl-3-chloro-2-methylpyrrolidine
CID 67849385
1-[(4-iodophenyl)methyl]-2-methylpiperidine
CID 65477935
(2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126557725
(2S,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126524305
(4aS,5R,8aS)-1-benzyl-5-pyrrolidin-1-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;(4aR,5S,8aR)-1-benzyl-5-pyrrolidin-1-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 161179572
4-[[(2R)-2-methylpiperidin-1-yl]methyl]benzenethiol
CID 97294059
(2R,3R)-1-[(4-tert-butylphenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124631

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[4-[(2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methyl]-3-pyrrolidin-1-ylpyrrolidine?
The IUPAC name of 2-methyl-1-[[4-[(2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methyl]-3-pyrrolidin-1-ylpyrrolidine (CID 166201846) is 2-methyl-1-[[4-[(2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methyl]-3-pyrrolidin-1-ylpyrrolidine.
What is the SMILES notation for 2-methyl-1-[[4-[(2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methyl]-3-pyrrolidin-1-ylpyrrolidine?
The canonical SMILES for 2-methyl-1-[[4-[(2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methyl]-3-pyrrolidin-1-ylpyrrolidine is CC1C(N2CCCC2)CCN1Cc1ccc(CN2CCC(N3CCCC3)C2C)cc1.
What is the InChIKey of 2-methyl-1-[[4-[(2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methyl]-3-pyrrolidin-1-ylpyrrolidine?
The InChIKey is YKHXJYDUUABBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N4/c1-21-25(27-13-3-4-14-27)11-17-29(21)19-23-7-9-24(10-8-23)20-30-18-12-26(22(30)2)28-15-5-6-16-28/h7-10,21-22,25-26H,3-6,11-20H2,1-2H3.
What are the key properties of 2-methyl-1-[[4-[(2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methyl]-3-pyrrolidin-1-ylpyrrolidine?
2-methyl-1-[[4-[(2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methyl]-3-pyrrolidin-1-ylpyrrolidine has a molecular weight of 410.65 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[4-[(2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methyl]-3-pyrrolidin-1-ylpyrrolidine is sourced from PubChem (CID 166201846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).