N-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine

C17H28N2 — CID 115316066

IUPACN-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine
SMILESCCCc1ccc(C(C)N2CCCC2CNC)cc1
InChIInChI=1S/C17H28N2/c1-4-6-15-8-10-16(11-9-15)14(2)19-12-5-7-17(19)13-18-3/h8-11,14,17-18H,4-7,12-13H2,1-3H3
InChIKeyWZLMOGILNSDNOW-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.38
Rot. Bonds6

About N-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine

N-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine (PubChem CID 115316066) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine
PubChem CID115316066
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine
SMILESCCCc1ccc(C(C)N2CCCC2CNC)cc1
InChIInChI=1S/C17H28N2/c1-4-6-15-8-10-16(11-9-15)14(2)19-12-5-7-17(19)13-18-3/h8-11,14,17-18H,4-7,12-13H2,1-3H3
InChIKeyWZLMOGILNSDNOW-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine (CID 115316066) is N-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine is CCCc1ccc(C(C)N2CCCC2CNC)cc1.
What is the InChIKey of N-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine?
The InChIKey is WZLMOGILNSDNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-6-15-8-10-16(11-9-15)14(2)19-12-5-7-17(19)13-18-3/h8-11,14,17-18H,4-7,12-13H2,1-3H3.
What are the key properties of N-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine?
N-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine has a molecular weight of 260.43 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 115316066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).