(4-chloropyrrolidin-2-yl)methanamine

C5H11ClN2 — CID 54385401

IUPAC(4-chloropyrrolidin-2-yl)methanamine
SMILESNCC1CC(Cl)CN1
InChIInChI=1S/C5H11ClN2/c6-4-1-5(2-7)8-3-4/h4-5,8H,1-3,7H2
InChIKeyLFTDLZACVHUUEO-UHFFFAOYSA-N
MW134.61 g/mol
LogP-0.09
Rot. Bonds1

About (4-chloropyrrolidin-2-yl)methanamine

(4-chloropyrrolidin-2-yl)methanamine (PubChem CID 54385401) has the molecular formula C5H11ClN2 and a molecular weight of 134.61 g/mol. Its IUPAC name is (4-chloropyrrolidin-2-yl)methanamine.

Molecular Properties

Compound Name(4-chloropyrrolidin-2-yl)methanamine
PubChem CID54385401
Molecular FormulaC5H11ClN2
Molecular Weight134.61 g/mol
Exact Mass134.06
IUPAC Name(4-chloropyrrolidin-2-yl)methanamine
SMILESNCC1CC(Cl)CN1
InChIInChI=1S/C5H11ClN2/c6-4-1-5(2-7)8-3-4/h4-5,8H,1-3,7H2
InChIKeyLFTDLZACVHUUEO-UHFFFAOYSA-N
XLogP-0.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-chloropyrrolidin-2-yl)methanamine?
The IUPAC name of (4-chloropyrrolidin-2-yl)methanamine (CID 54385401) is (4-chloropyrrolidin-2-yl)methanamine.
What is the SMILES notation for (4-chloropyrrolidin-2-yl)methanamine?
The canonical SMILES for (4-chloropyrrolidin-2-yl)methanamine is NCC1CC(Cl)CN1.
What is the InChIKey of (4-chloropyrrolidin-2-yl)methanamine?
The InChIKey is LFTDLZACVHUUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClN2/c6-4-1-5(2-7)8-3-4/h4-5,8H,1-3,7H2.
What are the key properties of (4-chloropyrrolidin-2-yl)methanamine?
(4-chloropyrrolidin-2-yl)methanamine has a molecular weight of 134.61 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloropyrrolidin-2-yl)methanamine is sourced from PubChem (CID 54385401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).