N,N-diethyl-2-[(5-methyl-4-phenylpyrrolidin-2-ylidene)amino]ethanamine

C17H27N3 — CID 135489584

IUPACN,N-diethyl-2-[(5-methyl-4-phenylpyrrolidin-2-ylidene)amino]ethanamine
SMILESCCN(CC)CC/N=C1\CC(c2ccccc2)C(C)N1
InChIInChI=1S/C17H27N3/c1-4-20(5-2)12-11-18-17-13-16(14(3)19-17)15-9-7-6-8-10-15/h6-10,14,16H,4-5,11-13H2,1-3H3,(H,18,19)
InChIKeyOVHGKQCTZJBGJT-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.89
Rot. Bonds6

About N,N-diethyl-2-[(5-methyl-4-phenylpyrrolidin-2-ylidene)amino]ethanamine

N,N-diethyl-2-[(5-methyl-4-phenylpyrrolidin-2-ylidene)amino]ethanamine (PubChem CID 135489584) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N,N-diethyl-2-[(5-methyl-4-phenylpyrrolidin-2-ylidene)amino]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[(5-methyl-4-phenylpyrrolidin-2-ylidene)amino]ethanamine
PubChem CID135489584
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN,N-diethyl-2-[(5-methyl-4-phenylpyrrolidin-2-ylidene)amino]ethanamine
SMILESCCN(CC)CC/N=C1\CC(c2ccccc2)C(C)N1
InChIInChI=1S/C17H27N3/c1-4-20(5-2)12-11-18-17-13-16(14(3)19-17)15-9-7-6-8-10-15/h6-10,14,16H,4-5,11-13H2,1-3H3,(H,18,19)
InChIKeyOVHGKQCTZJBGJT-UHFFFAOYSA-N
XLogP2.89
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(5-methyl-4-phenylpyrrolidin-2-ylidene)amino]ethanamine?
The IUPAC name of N,N-diethyl-2-[(5-methyl-4-phenylpyrrolidin-2-ylidene)amino]ethanamine (CID 135489584) is N,N-diethyl-2-[(5-methyl-4-phenylpyrrolidin-2-ylidene)amino]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[(5-methyl-4-phenylpyrrolidin-2-ylidene)amino]ethanamine?
The canonical SMILES for N,N-diethyl-2-[(5-methyl-4-phenylpyrrolidin-2-ylidene)amino]ethanamine is CCN(CC)CC/N=C1\CC(c2ccccc2)C(C)N1.
What is the InChIKey of N,N-diethyl-2-[(5-methyl-4-phenylpyrrolidin-2-ylidene)amino]ethanamine?
The InChIKey is OVHGKQCTZJBGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-4-20(5-2)12-11-18-17-13-16(14(3)19-17)15-9-7-6-8-10-15/h6-10,14,16H,4-5,11-13H2,1-3H3,(H,18,19).
What are the key properties of N,N-diethyl-2-[(5-methyl-4-phenylpyrrolidin-2-ylidene)amino]ethanamine?
N,N-diethyl-2-[(5-methyl-4-phenylpyrrolidin-2-ylidene)amino]ethanamine has a molecular weight of 273.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(5-methyl-4-phenylpyrrolidin-2-ylidene)amino]ethanamine is sourced from PubChem (CID 135489584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).