N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine

C18H30N2 — CID 64570465

IUPACN-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine
SMILESCC(C)C(C)CNC1CCN(CCc2ccccc2)C1
InChIInChI=1S/C18H30N2/c1-15(2)16(3)13-19-18-10-12-20(14-18)11-9-17-7-5-4-6-8-17/h4-8,15-16,18-19H,9-14H2,1-3H3
InChIKeyYWXULKYAYQCTRA-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.19
Rot. Bonds7

About N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine

N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine (PubChem CID 64570465) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine
PubChem CID64570465
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine
SMILESCC(C)C(C)CNC1CCN(CCc2ccccc2)C1
InChIInChI=1S/C18H30N2/c1-15(2)16(3)13-19-18-10-12-20(14-18)11-9-17-7-5-4-6-8-17/h4-8,15-16,18-19H,9-14H2,1-3H3
InChIKeyYWXULKYAYQCTRA-UHFFFAOYSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethoxyethyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 61212133
1-phenyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 110901793
5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol
CID 107267756
1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine
CID 61211753
2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol
CID 65034212
2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol
CID 115677253
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 61212508
(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol
CID 114986909
1,1-dimethyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]hydrazine
CID 83004992
N-(2-methyl-3-piperidin-1-ylpropyl)-1-(2-phenylethyl)piperidin-4-amine
CID 119165134
1-benzyl-N-(2-cyclopropylpropyl)pyrrolidin-3-amine
CID 115662847
N-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]acetamide
CID 61212881

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine?
The IUPAC name of N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine (CID 64570465) is N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine?
The canonical SMILES for N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine is CC(C)C(C)CNC1CCN(CCc2ccccc2)C1.
What is the InChIKey of N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine?
The InChIKey is YWXULKYAYQCTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15(2)16(3)13-19-18-10-12-20(14-18)11-9-17-7-5-4-6-8-17/h4-8,15-16,18-19H,9-14H2,1-3H3.
What are the key properties of N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine?
N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine has a molecular weight of 274.45 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 64570465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).