N-ethyl-2-methyl-1-(3-propylphenyl)-2-pyrrolidin-1-ylpropan-1-amine

C19H32N2 — CID 116544657

IUPACN-ethyl-2-methyl-1-(3-propylphenyl)-2-pyrrolidin-1-ylpropan-1-amine
SMILESCCCc1cccc(C(NCC)C(C)(C)N2CCCC2)c1
InChIInChI=1S/C19H32N2/c1-5-10-16-11-9-12-17(15-16)18(20-6-2)19(3,4)21-13-7-8-14-21/h9,11-12,15,18,20H,5-8,10,13-14H2,1-4H3
InChIKeyFZKCCPIFNHCIDB-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.16
Rot. Bonds7

About N-ethyl-2-methyl-1-(3-propylphenyl)-2-pyrrolidin-1-ylpropan-1-amine

N-ethyl-2-methyl-1-(3-propylphenyl)-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 116544657) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(3-propylphenyl)-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(3-propylphenyl)-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID116544657
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-ethyl-2-methyl-1-(3-propylphenyl)-2-pyrrolidin-1-ylpropan-1-amine
SMILESCCCc1cccc(C(NCC)C(C)(C)N2CCCC2)c1
InChIInChI=1S/C19H32N2/c1-5-10-16-11-9-12-17(15-16)18(20-6-2)19(3,4)21-13-7-8-14-21/h9,11-12,15,18,20H,5-8,10,13-14H2,1-4H3
InChIKeyFZKCCPIFNHCIDB-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(3-propylphenyl)-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-(3-propylphenyl)-2-pyrrolidin-1-ylpropan-1-amine (CID 116544657) is N-ethyl-2-methyl-1-(3-propylphenyl)-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(3-propylphenyl)-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(3-propylphenyl)-2-pyrrolidin-1-ylpropan-1-amine is CCCc1cccc(C(NCC)C(C)(C)N2CCCC2)c1.
What is the InChIKey of N-ethyl-2-methyl-1-(3-propylphenyl)-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is FZKCCPIFNHCIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-10-16-11-9-12-17(15-16)18(20-6-2)19(3,4)21-13-7-8-14-21/h9,11-12,15,18,20H,5-8,10,13-14H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-1-(3-propylphenyl)-2-pyrrolidin-1-ylpropan-1-amine?
N-ethyl-2-methyl-1-(3-propylphenyl)-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-(3-propylphenyl)-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 116544657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).