1-benzyl-N-(1-bicyclo[1.1.1]pentanyl)pyrrolidin-3-amine

C16H22N2 — CID 167503574

IUPAC1-benzyl-N-(1-bicyclo[1.1.1]pentanyl)pyrrolidin-3-amine
SMILESc1ccc(CN2CCC(NC34CC(C3)C4)C2)cc1
InChIInChI=1S/C16H22N2/c1-2-4-13(5-3-1)11-18-7-6-15(12-18)17-16-8-14(9-16)10-16/h1-5,14-15,17H,6-12H2
InChIKeyMRNGKKKJJDXQGU-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.40
Rot. Bonds4

About 1-benzyl-N-(1-bicyclo[1.1.1]pentanyl)pyrrolidin-3-amine

1-benzyl-N-(1-bicyclo[1.1.1]pentanyl)pyrrolidin-3-amine (PubChem CID 167503574) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-benzyl-N-(1-bicyclo[1.1.1]pentanyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(1-bicyclo[1.1.1]pentanyl)pyrrolidin-3-amine
PubChem CID167503574
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-benzyl-N-(1-bicyclo[1.1.1]pentanyl)pyrrolidin-3-amine
SMILESc1ccc(CN2CCC(NC34CC(C3)C4)C2)cc1
InChIInChI=1S/C16H22N2/c1-2-4-13(5-3-1)11-18-7-6-15(12-18)17-16-8-14(9-16)10-16/h1-5,14-15,17H,6-12H2
InChIKeyMRNGKKKJJDXQGU-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-(1-methylcyclopropyl)pyrrolidin-3-amine
CID 162433803
(3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71648802
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine
CID 43223634
1-benzyl-N-(2-cyclopropylpropyl)pyrrolidin-3-amine
CID 115662847
1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine
CID 43150672
1-benzyl-N-(5,5-dimethylthian-3-yl)pyrrolidin-3-amine
CID 79953618
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 43085353
1-benzyl-N-pentan-3-ylpyrrolidin-3-amine
CID 43150638
1-benzyl-N-ethoxypyrrolidin-3-amine
CID 82709325
1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
CID 43298230

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1-bicyclo[1.1.1]pentanyl)pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-(1-bicyclo[1.1.1]pentanyl)pyrrolidin-3-amine (CID 167503574) is 1-benzyl-N-(1-bicyclo[1.1.1]pentanyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(1-bicyclo[1.1.1]pentanyl)pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-(1-bicyclo[1.1.1]pentanyl)pyrrolidin-3-amine is c1ccc(CN2CCC(NC34CC(C3)C4)C2)cc1.
What is the InChIKey of 1-benzyl-N-(1-bicyclo[1.1.1]pentanyl)pyrrolidin-3-amine?
The InChIKey is MRNGKKKJJDXQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-2-4-13(5-3-1)11-18-7-6-15(12-18)17-16-8-14(9-16)10-16/h1-5,14-15,17H,6-12H2.
What are the key properties of 1-benzyl-N-(1-bicyclo[1.1.1]pentanyl)pyrrolidin-3-amine?
1-benzyl-N-(1-bicyclo[1.1.1]pentanyl)pyrrolidin-3-amine has a molecular weight of 242.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1-bicyclo[1.1.1]pentanyl)pyrrolidin-3-amine is sourced from PubChem (CID 167503574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).