1-[2-amino-1-(2-cyclopropylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine

C17H27N3 — CID 79983177

IUPAC1-[2-amino-1-(2-cyclopropylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(C(CN)c2ccccc2C2CC2)C1
InChIInChI=1S/C17H27N3/c1-19(2)14-9-10-20(12-14)17(11-18)16-6-4-3-5-15(16)13-7-8-13/h3-6,13-14,17H,7-12,18H2,1-2H3
InChIKeyZMDOKXKAJQVKHY-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.20
Rot. Bonds5

About 1-[2-amino-1-(2-cyclopropylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine

1-[2-amino-1-(2-cyclopropylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 79983177) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[2-amino-1-(2-cyclopropylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-1-(2-cyclopropylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID79983177
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-[2-amino-1-(2-cyclopropylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(C(CN)c2ccccc2C2CC2)C1
InChIInChI=1S/C17H27N3/c1-19(2)14-9-10-20(12-14)17(11-18)16-6-4-3-5-15(16)13-7-8-13/h3-6,13-14,17H,7-12,18H2,1-2H3
InChIKeyZMDOKXKAJQVKHY-UHFFFAOYSA-N
XLogP2.20
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyclopropylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 79982377
1-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63165928
1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166284
2-(2-cyclopropylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 79971755
1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166318
1-[2-amino-1-(1,3-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 83089837
2-(2-cyclopropylphenyl)-2-(2,5-dimethylpiperidin-1-yl)ethanamine
CID 79982473
1-[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 83090688
1-[2-amino-1-(3-ethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166417
1-[2-amino-1-(3-bromo-4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 105404983
N-cyclohexyl-1-(2-cyclopropylphenyl)-N-methylethane-1,2-diamine
CID 79983610
2-(2-cyclopropylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83053241

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(2-cyclopropylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-1-(2-cyclopropylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine (CID 79983177) is 1-[2-amino-1-(2-cyclopropylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-1-(2-cyclopropylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-1-(2-cyclopropylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(C(CN)c2ccccc2C2CC2)C1.
What is the InChIKey of 1-[2-amino-1-(2-cyclopropylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is ZMDOKXKAJQVKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-19(2)14-9-10-20(12-14)17(11-18)16-6-4-3-5-15(16)13-7-8-13/h3-6,13-14,17H,7-12,18H2,1-2H3.
What are the key properties of 1-[2-amino-1-(2-cyclopropylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
1-[2-amino-1-(2-cyclopropylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 273.42 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(2-cyclopropylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 79983177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).