N-propyl-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine

C17H27N3 — CID 63180231

IUPACN-propyl-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine
SMILESCCCNC1CCN(c2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C17H27N3/c1-2-10-18-15-9-13-20(14-15)17-7-5-16(6-8-17)19-11-3-4-12-19/h5-8,15,18H,2-4,9-14H2,1H3
InChIKeyGZVHEHARVAATSV-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.87
Rot. Bonds5

About N-propyl-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine

N-propyl-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine (PubChem CID 63180231) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-propyl-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-propyl-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine
PubChem CID63180231
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-propyl-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine
SMILESCCCNC1CCN(c2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C17H27N3/c1-2-10-18-15-9-13-20(14-15)17-7-5-16(6-8-17)19-11-3-4-12-19/h5-8,15,18H,2-4,9-14H2,1H3
InChIKeyGZVHEHARVAATSV-UHFFFAOYSA-N
XLogP2.87
TPSA18.51 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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-3-chlorophenyl)-N-propylpyrrolidin-3-amine
CID 107613067
N-propyl-1-(3,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 62809687
1-(4-bromo-3-fluorophenyl)-N-propylpiperidin-3-amine
CID 65437234
1-(1-benzothiophen-5-yl)-N-propylpyrrolidin-3-amine
CID 65474122
1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpyrrolidin-3-amine
CID 60860952
1-(3-methylsulfanylphenyl)-N-propylpyrrolidin-3-amine
CID 60861118
1-(2,6-difluorophenyl)-N-propylpyrrolidin-3-amine
CID 43315556
N-propyl-1-quinolin-6-ylpyrrolidin-3-amine
CID 62635980
1-(1-benzothiophen-5-yl)-N-propylpiperidin-3-amine
CID 65475550
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine
CID 64855894
1-(2,5-dimethylphenyl)-N-propylpyrrolidin-3-amine
CID 43314896
1-(2,3,4,5,6-pentafluorophenyl)-N-propylpyrrolidin-3-amine
CID 115564610

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine?
The IUPAC name of N-propyl-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine (CID 63180231) is N-propyl-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for N-propyl-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine?
The canonical SMILES for N-propyl-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine is CCCNC1CCN(c2ccc(N3CCCC3)cc2)C1.
What is the InChIKey of N-propyl-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine?
The InChIKey is GZVHEHARVAATSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-2-10-18-15-9-13-20(14-15)17-7-5-16(6-8-17)19-11-3-4-12-19/h5-8,15,18H,2-4,9-14H2,1H3.
What are the key properties of N-propyl-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine?
N-propyl-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine has a molecular weight of 273.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 63180231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).