1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine

C16H25N — CID 58442316

IUPAC1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine
SMILESCC(C)(C)CC(c1ccccc1)N1CCCC1
InChIInChI=1S/C16H25N/c1-16(2,3)13-15(17-11-7-8-12-17)14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3
InChIKeyANYAZQBEQSKZSD-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.26
Rot. Bonds3

About 1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine

1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine (PubChem CID 58442316) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine.

Molecular Properties

Compound Name1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine
PubChem CID58442316
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine
SMILESCC(C)(C)CC(c1ccccc1)N1CCCC1
InChIInChI=1S/C16H25N/c1-16(2,3)13-15(17-11-7-8-12-17)14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3
InChIKeyANYAZQBEQSKZSD-UHFFFAOYSA-N
XLogP4.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R)-1-phenylpropyl]azepane
CID 97315480
3,3-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butan-1-amine
CID 60694080
1-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]pyrrolidine
CID 10657531
1-(2-methoxy-1-phenylethyl)pyrrolidine
CID 59124240
1-(3-methyl-1-phenylbutyl)piperidine
CID 3056530
1-[(1S)-3-methyl-1-phenylbutyl]piperidine
CID 92967702
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
1-[(1S)-2,2-dimethyl-1-phenylpropyl]pyrrolidine
CID 59470641
3-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83936530
N-(2-phenyl-2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43202060
lithium 1-(1-phenylbutyl)piperidine
CID 87565541
1-tert-butyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111029760

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine?
The IUPAC name of 1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine (CID 58442316) is 1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine.
What is the SMILES notation for 1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine?
The canonical SMILES for 1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine is CC(C)(C)CC(c1ccccc1)N1CCCC1.
What is the InChIKey of 1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine?
The InChIKey is ANYAZQBEQSKZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-16(2,3)13-15(17-11-7-8-12-17)14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3.
What are the key properties of 1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine?
1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine has a molecular weight of 231.38 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine is sourced from PubChem (CID 58442316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).