(2R)-5-chloro-N-methylpentan-2-amine

C6H14ClN — CID 129120324

IUPAC(2R)-5-chloro-N-methylpentan-2-amine
SMILESCN[C@H](C)CCCCl
InChIInChI=1S/C6H14ClN/c1-6(8-2)4-3-5-7/h6,8H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyXLQVUJDPPUXVRE-ZCFIWIBFSA-N
MW135.64 g/mol
LogP1.61
Rot. Bonds4

About (2R)-5-chloro-N-methylpentan-2-amine

(2R)-5-chloro-N-methylpentan-2-amine (PubChem CID 129120324) has the molecular formula C6H14ClN and a molecular weight of 135.64 g/mol. Its IUPAC name is (2R)-5-chloro-N-methylpentan-2-amine.

Molecular Properties

Compound Name(2R)-5-chloro-N-methylpentan-2-amine
PubChem CID129120324
Molecular FormulaC6H14ClN
Molecular Weight135.64 g/mol
Exact Mass135.08
IUPAC Name(2R)-5-chloro-N-methylpentan-2-amine
SMILESCN[C@H](C)CCCCl
InChIInChI=1S/C6H14ClN/c1-6(8-2)4-3-5-7/h6,8H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyXLQVUJDPPUXVRE-ZCFIWIBFSA-N
XLogP1.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.64
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2R)-5-chloro-N-methylpentan-2-amine?
The IUPAC name of (2R)-5-chloro-N-methylpentan-2-amine (CID 129120324) is (2R)-5-chloro-N-methylpentan-2-amine.
What is the SMILES notation for (2R)-5-chloro-N-methylpentan-2-amine?
The canonical SMILES for (2R)-5-chloro-N-methylpentan-2-amine is CN[C@H](C)CCCCl.
What is the InChIKey of (2R)-5-chloro-N-methylpentan-2-amine?
The InChIKey is XLQVUJDPPUXVRE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H14ClN/c1-6(8-2)4-3-5-7/h6,8H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of (2R)-5-chloro-N-methylpentan-2-amine?
(2R)-5-chloro-N-methylpentan-2-amine has a molecular weight of 135.64 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-chloro-N-methylpentan-2-amine is sourced from PubChem (CID 129120324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).