ethane;1-[3-(4-propan-2-ylphenyl)propyl]pyrrolidine

C18H31N — CID 153405634

IUPACethane;1-[3-(4-propan-2-ylphenyl)propyl]pyrrolidine
SMILESCC.CC(C)c1ccc(CCCN2CCCC2)cc1
InChIInChI=1S/C16H25N.C2H6/c1-14(2)16-9-7-15(8-10-16)6-5-13-17-11-3-4-12-17;1-2/h7-10,14H,3-6,11-13H2,1-2H3;1-2H3
InChIKeyBLVUPXMWRYEONO-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.86
Rot. Bonds5

About ethane;1-[3-(4-propan-2-ylphenyl)propyl]pyrrolidine

ethane;1-[3-(4-propan-2-ylphenyl)propyl]pyrrolidine (PubChem CID 153405634) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is ethane;1-[3-(4-propan-2-ylphenyl)propyl]pyrrolidine.

Molecular Properties

Compound Nameethane;1-[3-(4-propan-2-ylphenyl)propyl]pyrrolidine
PubChem CID153405634
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Nameethane;1-[3-(4-propan-2-ylphenyl)propyl]pyrrolidine
SMILESCC.CC(C)c1ccc(CCCN2CCCC2)cc1
InChIInChI=1S/C16H25N.C2H6/c1-14(2)16-9-7-15(8-10-16)6-5-13-17-11-3-4-12-17;1-2/h7-10,14H,3-6,11-13H2,1-2H3;1-2H3
InChIKeyBLVUPXMWRYEONO-UHFFFAOYSA-N
XLogP4.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;1-[3-(4-propan-2-ylphenyl)propyl]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

4-[3-(4-propan-2-ylphenyl)propyl]morpholine
CID 146185786
1-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine
CID 58513850
1-[2-(4-propan-2-ylphenyl)ethyl]-1,4-diazepane
CID 82086321
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
4-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]aniline
CID 115342057
4-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-one
CID 70436740
ethane;3-(4-propan-2-ylphenyl)propane-1-thiol
CID 144873954
2-[3-(4-propan-2-ylphenyl)propyl]-2,7-diazaspiro[4.4]nonane
CID 82038702
4-[2-(4-propan-2-ylphenyl)ethyl]-1,4-diazepane-1-carboxamide
CID 91648682
4-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine
CID 82301970
methyl 4-(3-pyrrolidin-1-ylpropyl)benzoate
CID 10658147

Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-(4-propan-2-ylphenyl)propyl]pyrrolidine?
The IUPAC name of ethane;1-[3-(4-propan-2-ylphenyl)propyl]pyrrolidine (CID 153405634) is ethane;1-[3-(4-propan-2-ylphenyl)propyl]pyrrolidine.
What is the SMILES notation for ethane;1-[3-(4-propan-2-ylphenyl)propyl]pyrrolidine?
The canonical SMILES for ethane;1-[3-(4-propan-2-ylphenyl)propyl]pyrrolidine is CC.CC(C)c1ccc(CCCN2CCCC2)cc1.
What is the InChIKey of ethane;1-[3-(4-propan-2-ylphenyl)propyl]pyrrolidine?
The InChIKey is BLVUPXMWRYEONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N.C2H6/c1-14(2)16-9-7-15(8-10-16)6-5-13-17-11-3-4-12-17;1-2/h7-10,14H,3-6,11-13H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[3-(4-propan-2-ylphenyl)propyl]pyrrolidine?
ethane;1-[3-(4-propan-2-ylphenyl)propyl]pyrrolidine has a molecular weight of 261.45 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-(4-propan-2-ylphenyl)propyl]pyrrolidine is sourced from PubChem (CID 153405634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).