3-(chloromethyl)-1-(2-methylpentyl)pyrrolidine

C11H22ClN — CID 63388562

IUPAC3-(chloromethyl)-1-(2-methylpentyl)pyrrolidine
SMILESCCCC(C)CN1CCC(CCl)C1
InChIInChI=1S/C11H22ClN/c1-3-4-10(2)8-13-6-5-11(7-12)9-13/h10-11H,3-9H2,1-2H3
InChIKeyAGYXABSYEVQVOF-UHFFFAOYSA-N
MW203.76 g/mol
LogP2.98
Rot. Bonds5

About 3-(chloromethyl)-1-(2-methylpentyl)pyrrolidine

3-(chloromethyl)-1-(2-methylpentyl)pyrrolidine (PubChem CID 63388562) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is 3-(chloromethyl)-1-(2-methylpentyl)pyrrolidine.

Molecular Properties

Compound Name3-(chloromethyl)-1-(2-methylpentyl)pyrrolidine
PubChem CID63388562
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC Name3-(chloromethyl)-1-(2-methylpentyl)pyrrolidine
SMILESCCCC(C)CN1CCC(CCl)C1
InChIInChI=1S/C11H22ClN/c1-3-4-10(2)8-13-6-5-11(7-12)9-13/h10-11H,3-9H2,1-2H3
InChIKeyAGYXABSYEVQVOF-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.76
LogP ≤ 52.98
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

(3S)-1-(2-methylpentyl)pyrrolidin-3-amine
CID 115302330
(3R)-1-(2-methylpentyl)pyrrolidin-3-ol
CID 66291662
[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]methanol
CID 112628032
3-(2-bromoethyl)-1-(2-methylpentyl)piperidine
CID 80690205
3-bromo-1-(2-methylpentyl)piperidine
CID 80679524
2-methyl-N-[[1-(2-methylpentyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592590
1-(2-methylbutyl)-4-(3-methylpentyl)piperidine
CID 166678927
3-(2-methylpentyl)-1-propylpyrrolidine
CID 123729662
3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine
CID 80544082
4-(5-methyloct-3-ynyl)-1-(2-methylpentyl)piperidine
CID 170006256
1-(2-methylpentyl)-3-(trifluoromethyl)piperidine
CID 155261854
4-ethyl-1-(3-methylhexyl)piperidine
CID 176984647

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-(2-methylpentyl)pyrrolidine?
The IUPAC name of 3-(chloromethyl)-1-(2-methylpentyl)pyrrolidine (CID 63388562) is 3-(chloromethyl)-1-(2-methylpentyl)pyrrolidine.
What is the SMILES notation for 3-(chloromethyl)-1-(2-methylpentyl)pyrrolidine?
The canonical SMILES for 3-(chloromethyl)-1-(2-methylpentyl)pyrrolidine is CCCC(C)CN1CCC(CCl)C1.
What is the InChIKey of 3-(chloromethyl)-1-(2-methylpentyl)pyrrolidine?
The InChIKey is AGYXABSYEVQVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClN/c1-3-4-10(2)8-13-6-5-11(7-12)9-13/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-(chloromethyl)-1-(2-methylpentyl)pyrrolidine?
3-(chloromethyl)-1-(2-methylpentyl)pyrrolidine has a molecular weight of 203.76 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-(2-methylpentyl)pyrrolidine is sourced from PubChem (CID 63388562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).