1-methyliodanuidyl-3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]pyrrolidine

C14H28IN2- — CID 167479851

IUPAC1-methyliodanuidyl-3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]pyrrolidine
SMILESC[I-]N1CCC(CN2CCC(CC(C)C)C2)C1
InChIInChI=1S/C14H28IN2/c1-12(2)8-13-4-6-16(9-13)10-14-5-7-17(11-14)15-3/h12-14H,4-11H2,1-3H3/q-1
InChIKeySJKLMSDOQNPORD-UHFFFAOYSA-N
MW351.30 g/mol
LogP-0.69
Rot. Bonds5

About 1-methyliodanuidyl-3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]pyrrolidine

1-methyliodanuidyl-3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]pyrrolidine (PubChem CID 167479851) has the molecular formula C14H28IN2- and a molecular weight of 351.30 g/mol. Its IUPAC name is 1-methyliodanuidyl-3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-methyliodanuidyl-3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]pyrrolidine
PubChem CID167479851
Molecular FormulaC14H28IN2-
Molecular Weight351.30 g/mol
Exact Mass351.13
IUPAC Name1-methyliodanuidyl-3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]pyrrolidine
SMILESC[I-]N1CCC(CN2CCC(CC(C)C)C2)C1
InChIInChI=1S/C14H28IN2/c1-12(2)8-13-4-6-16(9-13)10-14-5-7-17(11-14)15-3/h12-14H,4-11H2,1-3H3/q-1
InChIKeySJKLMSDOQNPORD-UHFFFAOYSA-N
XLogP-0.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1-hexyl-3-(2-methylpropyl)pyrrolidine
CID 169242044
N-methyl-3-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]propanamide
CID 96566413
1-ethyl-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidine
CID 167479940
1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methylpropyl)-1,4-diazepane
CID 64944188
1-(2-methylpropyl)-4-[4-(2-methylpropyl)piperidin-1-yl]piperidine
CID 177321679
4-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 169242095
1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-amine
CID 83835140
ethane;1-[(1-ethylpyrrolidin-3-yl)methyl]-4-(4-propan-2-ylpiperidin-1-yl)piperidine
CID 177135021
4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 97319043
1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine
CID 176877129
1,3-bis(2-methylpropyl)piperidine;1-ethyl-3-(2-methylpropyl)piperidine
CID 169241986
2-methyl-3-(1-propylpyrrolidin-3-yl)propan-1-ol
CID 83981032

Frequently Asked Questions

What is the IUPAC name of 1-methyliodanuidyl-3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]pyrrolidine?
The IUPAC name of 1-methyliodanuidyl-3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]pyrrolidine (CID 167479851) is 1-methyliodanuidyl-3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]pyrrolidine.
What is the SMILES notation for 1-methyliodanuidyl-3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]pyrrolidine?
The canonical SMILES for 1-methyliodanuidyl-3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]pyrrolidine is C[I-]N1CCC(CN2CCC(CC(C)C)C2)C1.
What is the InChIKey of 1-methyliodanuidyl-3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]pyrrolidine?
The InChIKey is SJKLMSDOQNPORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28IN2/c1-12(2)8-13-4-6-16(9-13)10-14-5-7-17(11-14)15-3/h12-14H,4-11H2,1-3H3/q-1.
What are the key properties of 1-methyliodanuidyl-3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]pyrrolidine?
1-methyliodanuidyl-3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]pyrrolidine has a molecular weight of 351.30 g/mol, XLogP of -0.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyliodanuidyl-3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]pyrrolidine is sourced from PubChem (CID 167479851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).