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

C14H29N3 — CID 135704106

IUPACN,N-diethyl-2-[(5-methyl-4-propylpyrrolidin-2-ylidene)amino]ethanamine
SMILESCCCC1C/C(=N\CCN(CC)CC)NC1C
InChIInChI=1S/C14H29N3/c1-5-8-13-11-14(16-12(13)4)15-9-10-17(6-2)7-3/h12-13H,5-11H2,1-4H3,(H,15,16)
InChIKeyFANSOUFKZRTJRV-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.52
Rot. Bonds7

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

N,N-diethyl-2-[(5-methyl-4-propylpyrrolidin-2-ylidene)amino]ethanamine (PubChem CID 135704106) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N,N-diethyl-2-[(5-methyl-4-propylpyrrolidin-2-ylidene)amino]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[(5-methyl-4-propylpyrrolidin-2-ylidene)amino]ethanamine
PubChem CID135704106
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN,N-diethyl-2-[(5-methyl-4-propylpyrrolidin-2-ylidene)amino]ethanamine
SMILESCCCC1C/C(=N\CCN(CC)CC)NC1C
InChIInChI=1S/C14H29N3/c1-5-8-13-11-14(16-12(13)4)15-9-10-17(6-2)7-3/h12-13H,5-11H2,1-4H3,(H,15,16)
InChIKeyFANSOUFKZRTJRV-UHFFFAOYSA-N
XLogP2.52
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-diethyl-2-[(5-methyl-4-propylpyrrolidin-2-ylidene)amino]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(5-methyl-4-propylpyrrolidin-2-ylidene)amino]ethanamine?
The IUPAC name of N,N-diethyl-2-[(5-methyl-4-propylpyrrolidin-2-ylidene)amino]ethanamine (CID 135704106) is N,N-diethyl-2-[(5-methyl-4-propylpyrrolidin-2-ylidene)amino]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[(5-methyl-4-propylpyrrolidin-2-ylidene)amino]ethanamine?
The canonical SMILES for N,N-diethyl-2-[(5-methyl-4-propylpyrrolidin-2-ylidene)amino]ethanamine is CCCC1C/C(=N\CCN(CC)CC)NC1C.
What is the InChIKey of N,N-diethyl-2-[(5-methyl-4-propylpyrrolidin-2-ylidene)amino]ethanamine?
The InChIKey is FANSOUFKZRTJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-5-8-13-11-14(16-12(13)4)15-9-10-17(6-2)7-3/h12-13H,5-11H2,1-4H3,(H,15,16).
What are the key properties of N,N-diethyl-2-[(5-methyl-4-propylpyrrolidin-2-ylidene)amino]ethanamine?
N,N-diethyl-2-[(5-methyl-4-propylpyrrolidin-2-ylidene)amino]ethanamine has a molecular weight of 239.41 g/mol, XLogP of 2.52, 7 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-propylpyrrolidin-2-ylidene)amino]ethanamine is sourced from PubChem (CID 135704106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).