1-methyl-3,4-bis(2-methylpropyl)pyrrolidine

C13H27N — CID 146418320

IUPAC1-methyl-3,4-bis(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1CN(C)CC1CC(C)C
InChIInChI=1S/C13H27N/c1-10(2)6-12-8-14(5)9-13(12)7-11(3)4/h10-13H,6-9H2,1-5H3
InChIKeyJKFRLDJSBPENDS-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.26
Rot. Bonds4

About 1-methyl-3,4-bis(2-methylpropyl)pyrrolidine

1-methyl-3,4-bis(2-methylpropyl)pyrrolidine (PubChem CID 146418320) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-methyl-3,4-bis(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-3,4-bis(2-methylpropyl)pyrrolidine
PubChem CID146418320
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-methyl-3,4-bis(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1CN(C)CC1CC(C)C
InChIInChI=1S/C13H27N/c1-10(2)6-12-8-14(5)9-13(12)7-11(3)4/h10-13H,6-9H2,1-5H3
InChIKeyJKFRLDJSBPENDS-UHFFFAOYSA-N
XLogP3.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-3,4-bis(2-methylpropyl)pyrrolidine 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

(3aS,6aR)-2-methyl-5-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 118457215
methyl 1-methyl-3-(2-methylpropyl)piperidine-4-carboxylate
CID 105467059
(3S,5R)-1-methyl-3-(2-methylpropyl)-5-propan-2-ylpiperidine
CID 134236222
(3R,5S)-1-methyl-3-(2-methylpropyl)-5-propan-2-ylpiperidine
CID 134236161
1-methyl-2-(2-methylpropyl)cyclopropane
CID 54305717
1-(2-aminoethyl)-3-(2-methylpropyl)piperidin-4-ol
CID 121202994
3,4-bis[2-[4-[2-(4-ethyl-1-methylpyrrolidin-3-yl)ethyl]-1-methylpyrrolidin-3-yl]ethyl]-1-methylpyrrolidine
CID 90382204
1,2-bis(2-methylpropyl)cycloheptane
CID 175310859
2-methyl-1-[(2R)-3-methylbutan-2-yl]-3-(2-methylpropyl)azetidine
CID 174024707
(3S,4R)-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-ol
CID 158126108
2-[4-(hydroxymethyl)-1-methylpyrrolidin-3-yl]propan-1-ol
CID 90337746
2-methyl-7-(2-methylpropyl)-2-azaspiro[3.5]nonane
CID 176651901

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4-bis(2-methylpropyl)pyrrolidine?
The IUPAC name of 1-methyl-3,4-bis(2-methylpropyl)pyrrolidine (CID 146418320) is 1-methyl-3,4-bis(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 1-methyl-3,4-bis(2-methylpropyl)pyrrolidine?
The canonical SMILES for 1-methyl-3,4-bis(2-methylpropyl)pyrrolidine is CC(C)CC1CN(C)CC1CC(C)C.
What is the InChIKey of 1-methyl-3,4-bis(2-methylpropyl)pyrrolidine?
The InChIKey is JKFRLDJSBPENDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)6-12-8-14(5)9-13(12)7-11(3)4/h10-13H,6-9H2,1-5H3.
What are the key properties of 1-methyl-3,4-bis(2-methylpropyl)pyrrolidine?
1-methyl-3,4-bis(2-methylpropyl)pyrrolidine has a molecular weight of 197.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4-bis(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 146418320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).