1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-3-methylpyrrolidine

C14H24ClN — CID 102784549

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-3-methylpyrrolidine
SMILESCC1CCN(CC2CC3CCC2C3)C1CCl
InChIInChI=1S/C14H24ClN/c1-10-4-5-16(14(10)8-15)9-13-7-11-2-3-12(13)6-11/h10-14H,2-9H2,1H3
InChIKeyUHZKJALFNSXZKJ-UHFFFAOYSA-N
MW241.81 g/mol
LogP3.37
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-3-methylpyrrolidine

1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-3-methylpyrrolidine (PubChem CID 102784549) has the molecular formula C14H24ClN and a molecular weight of 241.81 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-3-methylpyrrolidine
PubChem CID102784549
Molecular FormulaC14H24ClN
Molecular Weight241.81 g/mol
Exact Mass241.16
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-3-methylpyrrolidine
SMILESCC1CCN(CC2CC3CCC2C3)C1CCl
InChIInChI=1S/C14H24ClN/c1-10-4-5-16(14(10)8-15)9-13-7-11-2-3-12(13)6-11/h10-14H,2-9H2,1H3
InChIKeyUHZKJALFNSXZKJ-UHFFFAOYSA-N
XLogP3.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.81
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-3-methylpyrrolidine with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)pyrrolidine
CID 164644249
(1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane
CID 55301828
2-(chloromethyl)-3-methyl-1-(oxolan-2-ylmethyl)pyrrolidine
CID 102784519
(2S,6R)-1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2,6-dimethylpiperidine
CID 101081315
1-(2-bicyclo[2.2.1]heptanylmethyl)-4,6-dimethyl-1,5-diazocane
CID 63687029
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-cyclopropyl-5-methylpiperazine
CID 79550803
1-(2-bicyclo[2.2.1]heptanylmethyl)-3,7-dimethyl-1,5-diazocane
CID 63684288
2-(chloromethyl)-1-(2-methoxyethyl)-3-methylpyrrolidine
CID 102784971
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpiperidine-3-carboxylic acid
CID 122121229
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-chloroethyl)piperidine
CID 106838166
1-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carbaldehyde
CID 79563432
1-(2-bicyclo[2.2.1]heptanylmethyl)-2,6-dimethylpiperazine
CID 79558038

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-3-methylpyrrolidine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-3-methylpyrrolidine (CID 102784549) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-3-methylpyrrolidine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-3-methylpyrrolidine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-3-methylpyrrolidine is CC1CCN(CC2CC3CCC2C3)C1CCl.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-3-methylpyrrolidine?
The InChIKey is UHZKJALFNSXZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN/c1-10-4-5-16(14(10)8-15)9-13-7-11-2-3-12(13)6-11/h10-14H,2-9H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-3-methylpyrrolidine?
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-3-methylpyrrolidine has a molecular weight of 241.81 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(chloromethyl)-3-methylpyrrolidine is sourced from PubChem (CID 102784549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).