1-chloro-N,N-dimethyl-1-pyrrolidin-1-ylmethanamine

C7H15ClN2 — CID 59360872

IUPAC1-chloro-N,N-dimethyl-1-pyrrolidin-1-ylmethanamine
SMILESCN(C)C(Cl)N1CCCC1
InChIInChI=1S/C7H15ClN2/c1-9(2)7(8)10-5-3-4-6-10/h7H,3-6H2,1-2H3
InChIKeyYCWQSOSKZMYQQP-UHFFFAOYSA-N
MW162.66 g/mol
LogP1.17
Rot. Bonds2

About 1-chloro-N,N-dimethyl-1-pyrrolidin-1-ylmethanamine

1-chloro-N,N-dimethyl-1-pyrrolidin-1-ylmethanamine (PubChem CID 59360872) has the molecular formula C7H15ClN2 and a molecular weight of 162.66 g/mol. Its IUPAC name is 1-chloro-N,N-dimethyl-1-pyrrolidin-1-ylmethanamine.

Molecular Properties

Compound Name1-chloro-N,N-dimethyl-1-pyrrolidin-1-ylmethanamine
PubChem CID59360872
Molecular FormulaC7H15ClN2
Molecular Weight162.66 g/mol
Exact Mass162.09
IUPAC Name1-chloro-N,N-dimethyl-1-pyrrolidin-1-ylmethanamine
SMILESCN(C)C(Cl)N1CCCC1
InChIInChI=1S/C7H15ClN2/c1-9(2)7(8)10-5-3-4-6-10/h7H,3-6H2,1-2H3
InChIKeyYCWQSOSKZMYQQP-UHFFFAOYSA-N
XLogP1.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N,N-dimethyl-1-pyrrolidin-1-ylmethanamine?
The IUPAC name of 1-chloro-N,N-dimethyl-1-pyrrolidin-1-ylmethanamine (CID 59360872) is 1-chloro-N,N-dimethyl-1-pyrrolidin-1-ylmethanamine.
What is the SMILES notation for 1-chloro-N,N-dimethyl-1-pyrrolidin-1-ylmethanamine?
The canonical SMILES for 1-chloro-N,N-dimethyl-1-pyrrolidin-1-ylmethanamine is CN(C)C(Cl)N1CCCC1.
What is the InChIKey of 1-chloro-N,N-dimethyl-1-pyrrolidin-1-ylmethanamine?
The InChIKey is YCWQSOSKZMYQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClN2/c1-9(2)7(8)10-5-3-4-6-10/h7H,3-6H2,1-2H3.
What are the key properties of 1-chloro-N,N-dimethyl-1-pyrrolidin-1-ylmethanamine?
1-chloro-N,N-dimethyl-1-pyrrolidin-1-ylmethanamine has a molecular weight of 162.66 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N,N-dimethyl-1-pyrrolidin-1-ylmethanamine is sourced from PubChem (CID 59360872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).