1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine

C29H42N2 — CID 156851276

IUPAC1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine
SMILESCC(C)c1cc(C2CC2)cc(N2CCCC2)c1.CC(C)c1cccc(N2CCCC2)c1
InChIInChI=1S/C16H23N.C13H19N/c1-12(2)14-9-15(13-5-6-13)11-16(10-14)17-7-3-4-8-17;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14/h9-13H,3-8H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyWZYWRDNTWDUGJO-UHFFFAOYSA-N
MW418.67 g/mol
LogP7.70
Rot. Bonds5

About 1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine

1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine (PubChem CID 156851276) has the molecular formula C29H42N2 and a molecular weight of 418.67 g/mol. Its IUPAC name is 1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine
PubChem CID156851276
Molecular FormulaC29H42N2
Molecular Weight418.67 g/mol
Exact Mass418.33
IUPAC Name1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine
SMILESCC(C)c1cc(C2CC2)cc(N2CCCC2)c1.CC(C)c1cccc(N2CCCC2)c1
InChIInChI=1S/C16H23N.C13H19N/c1-12(2)14-9-15(13-5-6-13)11-16(10-14)17-7-3-4-8-17;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14/h9-13H,3-8H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyWZYWRDNTWDUGJO-UHFFFAOYSA-N
XLogP7.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.67
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)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

1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine
CID 156851277
4,4-dimethyl-1-(3-propan-2-ylphenyl)piperidine
CID 165121154
1-(3-propan-2-ylphenyl)piperidine-3-carboxylic acid
CID 174980645
(3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine
CID 170687976
1-[3-(4,4-dimethylcyclohexyl)phenyl]pyrrolidine
CID 141117958
8-methyl-3-(3-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane
CID 169288841
3-methoxy-1-(3-propan-2-ylphenyl)pyrrolidine
CID 167341236
3-methyl-1-(3-propan-2-ylphenyl)piperazine
CID 20814161
1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine
CID 118968940
3-ethyl-1-(3-propan-2-ylphenyl)-1,4-diazepane
CID 64943135
2-(3-propan-2-ylphenyl)-2-azaspiro[3.3]heptane
CID 170688085
3-chloro-5-cyclopropyl-4-(3-propan-2-ylphenyl)-1,2,4-triazole
CID 55182936

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine?
The IUPAC name of 1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine (CID 156851276) is 1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine.
What is the SMILES notation for 1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine?
The canonical SMILES for 1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine is CC(C)c1cc(C2CC2)cc(N2CCCC2)c1.CC(C)c1cccc(N2CCCC2)c1.
What is the InChIKey of 1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine?
The InChIKey is WZYWRDNTWDUGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N.C13H19N/c1-12(2)14-9-15(13-5-6-13)11-16(10-14)17-7-3-4-8-17;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14/h9-13H,3-8H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine?
1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine has a molecular weight of 418.67 g/mol, XLogP of 7.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine is sourced from PubChem (CID 156851276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).