3-(chloromethyl)-1-cycloheptyl-2-methylpyrrolidine

C13H24ClN — CID 130834481

IUPAC3-(chloromethyl)-1-cycloheptyl-2-methylpyrrolidine
SMILESCC1C(CCl)CCN1C1CCCCCC1
InChIInChI=1S/C13H24ClN/c1-11-12(10-14)8-9-15(11)13-6-4-2-3-5-7-13/h11-13H,2-10H2,1H3
InChIKeyDAMYEFCSFMCCKU-UHFFFAOYSA-N
MW229.79 g/mol
LogP3.66
Rot. Bonds2

About 3-(chloromethyl)-1-cycloheptyl-2-methylpyrrolidine

3-(chloromethyl)-1-cycloheptyl-2-methylpyrrolidine (PubChem CID 130834481) has the molecular formula C13H24ClN and a molecular weight of 229.79 g/mol. Its IUPAC name is 3-(chloromethyl)-1-cycloheptyl-2-methylpyrrolidine.

Molecular Properties

Compound Name3-(chloromethyl)-1-cycloheptyl-2-methylpyrrolidine
PubChem CID130834481
Molecular FormulaC13H24ClN
Molecular Weight229.79 g/mol
Exact Mass229.16
IUPAC Name3-(chloromethyl)-1-cycloheptyl-2-methylpyrrolidine
SMILESCC1C(CCl)CCN1C1CCCCCC1
InChIInChI=1S/C13H24ClN/c1-11-12(10-14)8-9-15(11)13-6-4-2-3-5-7-13/h11-13H,2-10H2,1H3
InChIKeyDAMYEFCSFMCCKU-UHFFFAOYSA-N
XLogP3.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.79
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-1-cyclopentyl-2-methylpyrrolidine
CID 130920880
3-chloro-1-cyclohexyl-2-methylpiperidine
CID 130979196
[(2R,3R)-1-cyclohexyl-2-methylazepan-3-yl]methanamine
CID 96604453
1-cyclohexyl-2,3-dimethylpiperidin-4-amine
CID 79398517
2-(chloromethyl)-1-cycloheptylazepane
CID 116638619
3-bromo-1-cycloheptyl-2-methylpiperidine
CID 130934256
2-[(2R,3R)-1-cyclopropyl-2-methylpyrrolidin-3-yl]acetic acid
CID 82407111
3-(chloromethyl)-2-methyl-1-methylsulfonylpyrrolidine
CID 131048109
2-(1-cyclopropyl-2-methylpiperidin-3-yl)ethanamine
CID 83846817
4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol
CID 130143986
trans-(1R,2R)-1,2-bis(chloromethyl)cyclohexane
CID 54577627
(1-cyclopentyl-3-methylpyrrolidin-2-yl)methanol
CID 102788516

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-cycloheptyl-2-methylpyrrolidine?
The IUPAC name of 3-(chloromethyl)-1-cycloheptyl-2-methylpyrrolidine (CID 130834481) is 3-(chloromethyl)-1-cycloheptyl-2-methylpyrrolidine.
What is the SMILES notation for 3-(chloromethyl)-1-cycloheptyl-2-methylpyrrolidine?
The canonical SMILES for 3-(chloromethyl)-1-cycloheptyl-2-methylpyrrolidine is CC1C(CCl)CCN1C1CCCCCC1.
What is the InChIKey of 3-(chloromethyl)-1-cycloheptyl-2-methylpyrrolidine?
The InChIKey is DAMYEFCSFMCCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN/c1-11-12(10-14)8-9-15(11)13-6-4-2-3-5-7-13/h11-13H,2-10H2,1H3.
What are the key properties of 3-(chloromethyl)-1-cycloheptyl-2-methylpyrrolidine?
3-(chloromethyl)-1-cycloheptyl-2-methylpyrrolidine has a molecular weight of 229.79 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-cycloheptyl-2-methylpyrrolidine is sourced from PubChem (CID 130834481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).